N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide

C23H16Cl2N2O — CID 3131018

IUPACN-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C23H16Cl2N2O/c1-14-7-10-21-17(11-14)18(13-22(27-21)15-5-3-2-4-6-15)23(28)26-16-8-9-19(24)20(25)12-16/h2-13H,1H3,(H,26,28)
InChIKeyTXMDAAPZYIVMEA-UHFFFAOYSA-N
MW407.30 g/mol
LogP6.77
Rot. Bonds3

About N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide

N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 3131018) has the molecular formula C23H16Cl2N2O and a molecular weight of 407.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
PubChem CID3131018
Molecular FormulaC23H16Cl2N2O
Molecular Weight407.30 g/mol
Exact Mass406.06
IUPAC NameN-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C23H16Cl2N2O/c1-14-7-10-21-17(11-14)18(13-22(27-21)15-5-3-2-4-6-15)23(28)26-16-8-9-19(24)20(25)12-16/h2-13H,1H3,(H,26,28)
InChIKeyTXMDAAPZYIVMEA-UHFFFAOYSA-N
XLogP6.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 175308074
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
CID 1122087
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
6-methyl-N-(4-methyl-2-pyridinyl)-2-phenylquinoline-4-carboxamide
CID 16573417

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide (CID 3131018) is N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is TXMDAAPZYIVMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O/c1-14-7-10-21-17(11-14)18(13-22(27-21)15-5-3-2-4-6-15)23(28)26-16-8-9-19(24)20(25)12-16/h2-13H,1H3,(H,26,28).
What are the key properties of N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide?
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 6.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3131018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).