1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile

C25H17ClN4 — CID 50940225

IUPAC1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile
SMILESCc1nc2ccc(Cl)cc2c(-n2ccc3c(C#N)cc(-c4ccncc4)cc32)c1C
InChIInChI=1S/C25H17ClN4/c1-15-16(2)29-23-4-3-20(26)13-22(23)25(15)30-10-7-21-19(14-27)11-18(12-24(21)30)17-5-8-28-9-6-17/h3-13H,1-2H3
InChIKeyPUCGIXDPDICKQW-UHFFFAOYSA-N
MW408.89 g/mol
LogP6.38
Rot. Bonds2

About 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile

1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile (PubChem CID 50940225) has the molecular formula C25H17ClN4 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile.

Molecular Properties

Compound Name1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile
PubChem CID50940225
Molecular FormulaC25H17ClN4
Molecular Weight408.89 g/mol
Exact Mass408.11
IUPAC Name1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile
SMILESCc1nc2ccc(Cl)cc2c(-n2ccc3c(C#N)cc(-c4ccncc4)cc32)c1C
InChIInChI=1S/C25H17ClN4/c1-15-16(2)29-23-4-3-20(26)13-22(23)25(15)30-10-7-21-19(14-27)11-18(12-24(21)30)17-5-8-28-9-6-17/h3-13H,1-2H3
InChIKeyPUCGIXDPDICKQW-UHFFFAOYSA-N
XLogP6.38
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile?
The IUPAC name of 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile (CID 50940225) is 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile.
What is the SMILES notation for 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile?
The canonical SMILES for 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile is Cc1nc2ccc(Cl)cc2c(-n2ccc3c(C#N)cc(-c4ccncc4)cc32)c1C.
What is the InChIKey of 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile?
The InChIKey is PUCGIXDPDICKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4/c1-15-16(2)29-23-4-3-20(26)13-22(23)25(15)30-10-7-21-19(14-27)11-18(12-24(21)30)17-5-8-28-9-6-17/h3-13H,1-2H3.
What are the key properties of 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile?
1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile has a molecular weight of 408.89 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dimethylquinolin-4-yl)-6-pyridin-4-ylindole-4-carbonitrile is sourced from PubChem (CID 50940225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).