N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide

C26H22BrFN2O — CID 19647594

IUPACN-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Br)c(C)c3C)c2c1
InChIInChI=1S/C26H22BrFN2O/c1-14-11-15(2)25-20(12-14)21(13-24(29-25)18-5-7-19(28)8-6-18)26(31)30-23-10-9-22(27)16(3)17(23)4/h5-13H,1-4H3,(H,30,31)
InChIKeySATNYBODZXCUIQ-UHFFFAOYSA-N
MW477.38 g/mol
LogP7.29
Rot. Bonds3

About N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide

N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 19647594) has the molecular formula C26H22BrFN2O and a molecular weight of 477.38 g/mol. Its IUPAC name is N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID19647594
Molecular FormulaC26H22BrFN2O
Molecular Weight477.38 g/mol
Exact Mass476.09
IUPAC NameN-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Br)c(C)c3C)c2c1
InChIInChI=1S/C26H22BrFN2O/c1-14-11-15(2)25-20(12-14)21(13-24(29-25)18-5-7-19(28)8-6-18)26(31)30-23-10-9-22(27)16(3)17(23)4/h5-13H,1-4H3,(H,30,31)
InChIKeySATNYBODZXCUIQ-UHFFFAOYSA-N
XLogP7.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.38
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303
6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid
CID 4712144
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647736
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647664
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide (CID 19647594) is N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Br)c(C)c3C)c2c1.
What is the InChIKey of N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is SATNYBODZXCUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrFN2O/c1-14-11-15(2)25-20(12-14)21(13-24(29-25)18-5-7-19(28)8-6-18)26(31)30-23-10-9-22(27)16(3)17(23)4/h5-13H,1-4H3,(H,30,31).
What are the key properties of N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 477.38 g/mol, XLogP of 7.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).