N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide

C23H15BrClFN2O — CID 2259560

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C23H15BrClFN2O/c1-13-21(23(29)28-20-11-8-15(24)12-18(20)26)17-4-2-3-5-19(17)27-22(13)14-6-9-16(25)10-7-14/h2-12H,1H3,(H,28,29)
InChIKeyZQGCBPSRBIJTLX-UHFFFAOYSA-N
MW469.74 g/mol
LogP7.02
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide

N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide (PubChem CID 2259560) has the molecular formula C23H15BrClFN2O and a molecular weight of 469.74 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
PubChem CID2259560
Molecular FormulaC23H15BrClFN2O
Molecular Weight469.74 g/mol
Exact Mass468.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C23H15BrClFN2O/c1-13-21(23(29)28-20-11-8-15(24)12-18(20)26)17-4-2-3-5-19(17)27-22(13)14-6-9-16(25)10-7-14/h2-12H,1H3,(H,28,29)
InChIKeyZQGCBPSRBIJTLX-UHFFFAOYSA-N
XLogP7.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.74
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide (CID 2259560) is N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is ZQGCBPSRBIJTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrClFN2O/c1-13-21(23(29)28-20-11-8-15(24)12-18(20)26)17-4-2-3-5-19(17)27-22(13)14-6-9-16(25)10-7-14/h2-12H,1H3,(H,28,29).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide has a molecular weight of 469.74 g/mol, XLogP of 7.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 2259560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).