N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide

C23H16ClFN2O — CID 4196964

IUPACN-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)c3ccccc3n2)c1
InChIInChI=1S/C23H16ClFN2O/c1-14-5-4-6-15(11-14)22-13-18(17-7-2-3-8-20(17)26-22)23(28)27-21-10-9-16(24)12-19(21)25/h2-13H,1H3,(H,27,28)
InChIKeyDSNWQNJVXGULMI-UHFFFAOYSA-N
MW390.85 g/mol
LogP6.26
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide

N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 4196964) has the molecular formula C23H16ClFN2O and a molecular weight of 390.85 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID4196964
Molecular FormulaC23H16ClFN2O
Molecular Weight390.85 g/mol
Exact Mass390.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)c3ccccc3n2)c1
InChIInChI=1S/C23H16ClFN2O/c1-14-5-4-6-15(11-14)22-13-18(17-7-2-3-8-20(17)26-22)23(28)27-21-10-9-16(24)12-19(21)25/h2-13H,1H3,(H,27,28)
InChIKeyDSNWQNJVXGULMI-UHFFFAOYSA-N
XLogP6.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.85
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5239523
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 4685628

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide (CID 4196964) is N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)c3ccccc3n2)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is DSNWQNJVXGULMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O/c1-14-5-4-6-15(11-14)22-13-18(17-7-2-3-8-20(17)26-22)23(28)27-21-10-9-16(24)12-19(21)25/h2-13H,1H3,(H,27,28).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4196964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).