2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide

C30H23ClN2O2 — CID 9497835

IUPAC2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C30H23ClN2O2/c1-19-16-20(2)29-26(17-19)27(18-28(33-29)21-8-10-22(31)11-9-21)30(34)32-23-12-14-25(15-13-23)35-24-6-4-3-5-7-24/h3-18H,1-2H3,(H,32,34)
InChIKeyUGPCWXGDQWATOS-UHFFFAOYSA-N
MW478.98 g/mol
LogP8.22
Rot. Bonds5

About 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide

2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide (PubChem CID 9497835) has the molecular formula C30H23ClN2O2 and a molecular weight of 478.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
PubChem CID9497835
Molecular FormulaC30H23ClN2O2
Molecular Weight478.98 g/mol
Exact Mass478.14
IUPAC Name2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C30H23ClN2O2/c1-19-16-20(2)29-26(17-19)27(18-28(33-29)21-8-10-22(31)11-9-21)30(34)32-23-12-14-25(15-13-23)35-24-6-4-3-5-7-24/h3-18H,1-2H3,(H,32,34)
InChIKeyUGPCWXGDQWATOS-UHFFFAOYSA-N
XLogP8.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide
CID 5092601
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide (CID 9497835) is 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide?
The InChIKey is UGPCWXGDQWATOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2O2/c1-19-16-20(2)29-26(17-19)27(18-28(33-29)21-8-10-22(31)11-9-21)30(34)32-23-12-14-25(15-13-23)35-24-6-4-3-5-7-24/h3-18H,1-2H3,(H,32,34).
What are the key properties of 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 8.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 9497835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).