8-bromo-6-chloro-2-phenylquinoline-4-carboxylate

C16H8BrClNO2- — CID 5215803

IUPAC8-bromo-6-chloro-2-phenylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2)nc2c(Br)cc(Cl)cc12
InChIInChI=1S/C16H9BrClNO2/c17-13-7-10(18)6-11-12(16(20)21)8-14(19-15(11)13)9-4-2-1-3-5-9/h1-8H,(H,20,21)/p-1
InChIKeyNQSDBYLXAQHVRD-UHFFFAOYSA-M
MW361.60 g/mol
LogP3.68
Rot. Bonds2

About 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate

8-bromo-6-chloro-2-phenylquinoline-4-carboxylate (PubChem CID 5215803) has the molecular formula C16H8BrClNO2- and a molecular weight of 361.60 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name8-bromo-6-chloro-2-phenylquinoline-4-carboxylate
PubChem CID5215803
Molecular FormulaC16H8BrClNO2-
Molecular Weight361.60 g/mol
Exact Mass359.94
IUPAC Name8-bromo-6-chloro-2-phenylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2)nc2c(Br)cc(Cl)cc12
InChIInChI=1S/C16H9BrClNO2/c17-13-7-10(18)6-11-12(16(20)21)8-14(19-15(11)13)9-4-2-1-3-5-9/h1-8H,(H,20,21)/p-1
InChIKeyNQSDBYLXAQHVRD-UHFFFAOYSA-M
XLogP3.68
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-bromo-6-chloro-2-phenylquinoline-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

6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 633518
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
4,6-dichloro-8-iodo-2-phenylquinoline
CID 107628258
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
methyl (2S)-2-[[2-(4-bromophenyl)-6-chloro-8-methylquinoline-4-carbonyl]amino]-3-phenylpropanoate
CID 66600642

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate?
The IUPAC name of 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate (CID 5215803) is 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate?
The canonical SMILES for 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate is O=C([O-])c1cc(-c2ccccc2)nc2c(Br)cc(Cl)cc12.
What is the InChIKey of 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate?
The InChIKey is NQSDBYLXAQHVRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H9BrClNO2/c17-13-7-10(18)6-11-12(16(20)21)8-14(19-15(11)13)9-4-2-1-3-5-9/h1-8H,(H,20,21)/p-1.
What are the key properties of 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate?
8-bromo-6-chloro-2-phenylquinoline-4-carboxylate has a molecular weight of 361.60 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 5215803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).