N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide

C25H20BrFN2O — CID 17258584

IUPACN-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Br)cc3C)c2c1
InChIInChI=1S/C25H20BrFN2O/c1-14-10-16(3)24-20(11-14)21(13-23(28-24)17-4-7-19(27)8-5-17)25(30)29-22-9-6-18(26)12-15(22)2/h4-13H,1-3H3,(H,29,30)
InChIKeyUVUGZYRVPNOYML-UHFFFAOYSA-N
MW463.35 g/mol
LogP6.98
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide

N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 17258584) has the molecular formula C25H20BrFN2O and a molecular weight of 463.35 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID17258584
Molecular FormulaC25H20BrFN2O
Molecular Weight463.35 g/mol
Exact Mass462.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Br)cc3C)c2c1
InChIInChI=1S/C25H20BrFN2O/c1-14-10-16(3)24-20(11-14)21(13-23(28-24)17-4-7-19(27)8-5-17)25(30)29-22-9-6-18(26)12-15(22)2/h4-13H,1-3H3,(H,29,30)
InChIKeyUVUGZYRVPNOYML-UHFFFAOYSA-N
XLogP6.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.35
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647594
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4217087
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648097
N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647664

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide (CID 17258584) is N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Br)cc3C)c2c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is UVUGZYRVPNOYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrFN2O/c1-14-10-16(3)24-20(11-14)21(13-23(28-24)17-4-7-19(27)8-5-17)25(30)29-22-9-6-18(26)12-15(22)2/h4-13H,1-3H3,(H,29,30).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 463.35 g/mol, XLogP of 6.98, 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-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 17258584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).