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QIG : Summary

Code

QIG

One-letter code

X

Molecule name

N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine

Systematic names

ProgramVersionName
ACDLabs 10.04 N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
OpenEye OEToolkits 1.5.0 N-(1H-indazol-5-yl)-2-(6-methylpyridin-2-yl)quinazolin-4-amine

Formula

C21 H16 N6

Formal charge

0

Molecular weight

352.392 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(cccc1c3nc2c(cccc2)c(n3)Nc4cc5c(cc4)nnc5)C
SMILES CACTVS 3.341 Cc1cccc(n1)c2nc(Nc3ccc4[nH]ncc4c3)c5ccccc5n2
SMILES OpenEye OEToolkits 1.5.0 Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5
Canonical SMILES CACTVS 3.341 Cc1cccc(n1)c2nc(Nc3ccc4[nH]ncc4c3)c5ccccc5n2
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5

IUPAC InChI

InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)

IUPAC InChI key

HNHRWNUXTCATSG-UHFFFAOYSA-N
QIG

wwPDB Information

Atom count

43 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-04-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned