N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide

C23H16Cl2N2O2 — CID 175308074

IUPACN-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C23H16Cl2N2O2/c1-29-16-8-9-17-18(23(28)26-15-7-10-19(24)20(25)11-15)13-21(27-22(17)12-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)
InChIKeyYOUHVDHBENPCQO-UHFFFAOYSA-N
MW423.30 g/mol
LogP6.47
Rot. Bonds4

About N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide

N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide (PubChem CID 175308074) has the molecular formula C23H16Cl2N2O2 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
PubChem CID175308074
Molecular FormulaC23H16Cl2N2O2
Molecular Weight423.30 g/mol
Exact Mass422.06
IUPAC NameN-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C23H16Cl2N2O2/c1-29-16-8-9-17-18(23(28)26-15-7-10-19(24)20(25)11-15)13-21(27-22(17)12-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)
InChIKeyYOUHVDHBENPCQO-UHFFFAOYSA-N
XLogP6.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164624795
7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4103073
7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442508
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55552057
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide (CID 175308074) is N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide is COc1ccc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide?
The InChIKey is YOUHVDHBENPCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2/c1-29-16-8-9-17-18(23(28)26-15-7-10-19(24)20(25)11-15)13-21(27-22(17)12-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28).
What are the key properties of N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide?
N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide has a molecular weight of 423.30 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 175308074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).