6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate

C19H15BrNO3- — CID 4653522

IUPAC6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate
SMILESCCOc1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1
InChIInChI=1S/C19H16BrNO3/c1-3-24-14-7-4-12(5-8-14)18-11(2)17(19(22)23)15-10-13(20)6-9-16(15)21-18/h4-10H,3H2,1-2H3,(H,22,23)/p-1
InChIKeyAKNRHVLHQOLJFT-UHFFFAOYSA-M
MW385.24 g/mol
LogP3.73
Rot. Bonds4

About 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate

6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate (PubChem CID 4653522) has the molecular formula C19H15BrNO3- and a molecular weight of 385.24 g/mol. Its IUPAC name is 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate
PubChem CID4653522
Molecular FormulaC19H15BrNO3-
Molecular Weight385.24 g/mol
Exact Mass384.02
IUPAC Name6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate
SMILESCCOc1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1
InChIInChI=1S/C19H16BrNO3/c1-3-24-14-7-4-12(5-8-14)18-11(2)17(19(22)23)15-10-13(20)6-9-16(15)21-18/h4-10H,3H2,1-2H3,(H,22,23)/p-1
InChIKeyAKNRHVLHQOLJFT-UHFFFAOYSA-M
XLogP3.73
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate 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

3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 4134698
3,6-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid
CID 5113292
6-bromo-3-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 159151175
potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate
CID 23711749
tert-butyl 6-bromo-3-methyl-2-phenylquinoline-4-carboxylate
CID 122551271
4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
CID 104845970
ethyl 2-[3-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-2-methylphenyl]propanoate
CID 153407898
6-fluoro-3-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxylate
CID 91934812
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 86309017
sodium 6-fluoro-3-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxylate
CID 23673428
6-bromo-3-ethyl-2-methylquinoline-4-carboxylic acid
CID 21061136
6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 163338403

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate?
The IUPAC name of 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate (CID 4653522) is 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate.
What is the SMILES notation for 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate?
The canonical SMILES for 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate is CCOc1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1.
What is the InChIKey of 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate?
The InChIKey is AKNRHVLHQOLJFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16BrNO3/c1-3-24-14-7-4-12(5-8-14)18-11(2)17(19(22)23)15-10-13(20)6-9-16(15)21-18/h4-10H,3H2,1-2H3,(H,22,23)/p-1.
What are the key properties of 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate?
6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate has a molecular weight of 385.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 4653522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).