7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide

C23H15Cl3N2O — CID 17368895

IUPAC7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H15Cl3N2O/c1-13-18(24)10-8-16-17(23(29)27-15-7-9-19(25)20(26)11-15)12-21(28-22(13)16)14-5-3-2-4-6-14/h2-12H,1H3,(H,27,29)
InChIKeyYUMFHJKWYILVTM-UHFFFAOYSA-N
MW441.75 g/mol
LogP7.42
Rot. Bonds3

About 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide

7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 17368895) has the molecular formula C23H15Cl3N2O and a molecular weight of 441.75 g/mol. Its IUPAC name is 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
PubChem CID17368895
Molecular FormulaC23H15Cl3N2O
Molecular Weight441.75 g/mol
Exact Mass440.02
IUPAC Name7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H15Cl3N2O/c1-13-18(24)10-8-16-17(23(29)27-15-7-9-19(25)20(26)11-15)12-21(28-22(13)16)14-5-3-2-4-6-14/h2-12H,1H3,(H,27,29)
InChIKeyYUMFHJKWYILVTM-UHFFFAOYSA-N
XLogP7.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.75
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 3105380
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 2220589
N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 175308074
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide
CID 2965496
7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
CID 17372346
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide (CID 17368895) is 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is YUMFHJKWYILVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N2O/c1-13-18(24)10-8-16-17(23(29)27-15-7-9-19(25)20(26)11-15)12-21(28-22(13)16)14-5-3-2-4-6-14/h2-12H,1H3,(H,27,29).
What are the key properties of 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 441.75 g/mol, XLogP of 7.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 17368895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).