4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile

C17H12ClN3O — CID 27371729

IUPAC4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
SMILESCOc1cccc2c(Nc3cccc(Cl)c3)c(C#N)cnc12
InChIInChI=1S/C17H12ClN3O/c1-22-15-7-3-6-14-16(11(9-19)10-20-17(14)15)21-13-5-2-4-12(18)8-13/h2-8,10H,1H3,(H,20,21)
InChIKeyDDEOPFSMNZLFJD-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.51
Rot. Bonds3

About 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile

4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile (PubChem CID 27371729) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
PubChem CID27371729
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
SMILESCOc1cccc2c(Nc3cccc(Cl)c3)c(C#N)cnc12
InChIInChI=1S/C17H12ClN3O/c1-22-15-7-3-6-14-16(11(9-19)10-20-17(14)15)21-13-5-2-4-12(18)8-13/h2-8,10H,1H3,(H,20,21)
InChIKeyDDEOPFSMNZLFJD-UHFFFAOYSA-N
XLogP4.51
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide
CID 90766636
4-(3-chloroanilino)-6-[methyl(pyridin-3-yl)amino]quinoline-3,8-dicarbonitrile
CID 69259334
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
CID 167702626
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
5-chloro-8-methoxy-4-(methylamino)quinoline-3-carbonitrile
CID 62188675
4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
CID 69374001

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile (CID 27371729) is 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile is COc1cccc2c(Nc3cccc(Cl)c3)c(C#N)cnc12.
What is the InChIKey of 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile?
The InChIKey is DDEOPFSMNZLFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-22-15-7-3-6-14-16(11(9-19)10-20-17(14)15)21-13-5-2-4-12(18)8-13/h2-8,10H,1H3,(H,20,21).
What are the key properties of 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile?
4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile has a molecular weight of 309.76 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 27371729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).