4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile

C23H15Cl2N3O — CID 141040646

IUPAC4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(-c4ccccc4)ccc23)c(Cl)cc1Cl
InChIInChI=1S/C23H15Cl2N3O/c1-29-22-11-21(18(24)10-19(22)25)28-23-16(12-26)13-27-20-9-15(7-8-17(20)23)14-5-3-2-4-6-14/h2-11,13H,1H3,(H,27,28)
InChIKeyIJIKRUIZXXRBGQ-UHFFFAOYSA-N
MW420.30 g/mol
LogP6.83
Rot. Bonds4

About 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile

4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile (PubChem CID 141040646) has the molecular formula C23H15Cl2N3O and a molecular weight of 420.30 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile
PubChem CID141040646
Molecular FormulaC23H15Cl2N3O
Molecular Weight420.30 g/mol
Exact Mass419.06
IUPAC Name4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(-c4ccccc4)ccc23)c(Cl)cc1Cl
InChIInChI=1S/C23H15Cl2N3O/c1-29-22-11-21(18(24)10-19(22)25)28-23-16(12-26)13-27-20-9-15(7-8-17(20)23)14-5-3-2-4-6-14/h2-11,13H,1H3,(H,27,28)
InChIKeyIJIKRUIZXXRBGQ-UHFFFAOYSA-N
XLogP6.83
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichloro-5-methoxyanilino)-7-(furan-2-yl)quinoline-3-carbonitrile
CID 68913966
4-(2,4-dichloro-5-methoxyanilino)-7-[5-[(dimethylamino)methyl]-2-pyridinyl]quinoline-3-carbonitrile
CID 45486634
7-[5-[[bis(2-hydroxyethyl)amino]methyl]furan-2-yl]-4-(2,4-dichloro-5-methoxyanilino)quinoline-3-carbonitrile
CID 23438280
4-(2,4-dichloro-5-methoxyanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline-3-carbonitrile
CID 23438122
4-(2,4-dichloro-5-methoxyanilino)-7-[5-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]quinoline-3-carbonitrile
CID 23437844
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328916
7-(2,4-dichloro-5-methoxyanilino)-2-(2-pyridin-2-ylethynyl)thieno[3,2-b]pyridine-6-carbonitrile
CID 22256640
4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile
CID 5330498
4-(2,4-dichloro-5-methoxyanilino)-7-[5-(diethylaminomethyl)furan-3-yl]-6-methoxyquinoline-3-carbonitrile
CID 11713407
4-(2,4-dichloro-5-methoxyanilino)-7-(2-formyl-3-methylimidazol-4-yl)-6-methoxyquinoline-3-carbonitrile
CID 23437849
7-[3-(4-aminopiperazin-1-yl)propoxy]-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile
CID 154688469

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile?
The IUPAC name of 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile (CID 141040646) is 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc(-c4ccccc4)ccc23)c(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile?
The InChIKey is IJIKRUIZXXRBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O/c1-29-22-11-21(18(24)10-19(22)25)28-23-16(12-26)13-27-20-9-15(7-8-17(20)23)14-5-3-2-4-6-14/h2-11,13H,1H3,(H,27,28).
What are the key properties of 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile?
4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile has a molecular weight of 420.30 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile is sourced from PubChem (CID 141040646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).