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

C25H21ClN2O — CID 3769705

IUPAC7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1C
InChIInChI=1S/C25H21ClN2O/c1-15-8-7-11-22(16(15)2)28-25(29)20-14-23(18-9-5-4-6-10-18)27-24-17(3)21(26)13-12-19(20)24/h4-14H,1-3H3,(H,28,29)
InChIKeySUFACXGTYOGAII-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.73
Rot. Bonds3

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

7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 3769705) has the molecular formula C25H21ClN2O and a molecular weight of 400.91 g/mol. Its IUPAC name is 7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
PubChem CID3769705
Molecular FormulaC25H21ClN2O
Molecular Weight400.91 g/mol
Exact Mass400.13
IUPAC Name7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1C
InChIInChI=1S/C25H21ClN2O/c1-15-8-7-11-22(16(15)2)28-25(29)20-14-23(18-9-5-4-6-10-18)27-24-17(3)21(26)13-12-19(20)24/h4-14H,1-3H3,(H,28,29)
InChIKeySUFACXGTYOGAII-UHFFFAOYSA-N
XLogP6.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.73
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-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 2220589
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
CID 17372346
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 3105380
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 3827571

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide (CID 3769705) is 7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1C.
What is the InChIKey of 7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is SUFACXGTYOGAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O/c1-15-8-7-11-22(16(15)2)28-25(29)20-14-23(18-9-5-4-6-10-18)27-24-17(3)21(26)13-12-19(20)24/h4-14H,1-3H3,(H,28,29).
What are the key properties of 7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 6.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3769705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).