N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide

C27H24BrClN2O — CID 19647961

IUPACN-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C27H24BrClN2O/c1-5-18-14-20(28)8-11-23(18)30-27(32)24-17(4)26(19-6-9-21(29)10-7-19)31-25-16(3)12-15(2)13-22(24)25/h6-14H,5H2,1-4H3,(H,30,32)
InChIKeySMWQUGIYOUTQAT-UHFFFAOYSA-N
MW507.86 g/mol
LogP8.06
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide

N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide (PubChem CID 19647961) has the molecular formula C27H24BrClN2O and a molecular weight of 507.86 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
PubChem CID19647961
Molecular FormulaC27H24BrClN2O
Molecular Weight507.86 g/mol
Exact Mass506.08
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C27H24BrClN2O/c1-5-18-14-20(28)8-11-23(18)30-27(32)24-17(4)26(19-6-9-21(29)10-7-19)31-25-16(3)12-15(2)13-22(24)25/h6-14H,5H2,1-4H3,(H,30,32)
InChIKeySMWQUGIYOUTQAT-UHFFFAOYSA-N
XLogP8.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.86
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-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

2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648097
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647942
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
N-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647990
N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648072
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648013
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647989
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide (CID 19647961) is N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide is CCc1cc(Br)ccc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is SMWQUGIYOUTQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrClN2O/c1-5-18-14-20(28)8-11-23(18)30-27(32)24-17(4)26(19-6-9-21(29)10-7-19)31-25-16(3)12-15(2)13-22(24)25/h6-14H,5H2,1-4H3,(H,30,32).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide has a molecular weight of 507.86 g/mol, XLogP of 8.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).