2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid

C16H9BrClNO2 — CID 63462811

IUPAC2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Br)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H9BrClNO2/c17-10-3-1-2-9(6-10)14-8-13(16(20)21)12-5-4-11(18)7-15(12)19-14/h1-8H,(H,20,21)
InChIKeySMJMUOFEYZRLLF-UHFFFAOYSA-N
MW362.61 g/mol
LogP5.02
Rot. Bonds2

About 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid

2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid (PubChem CID 63462811) has the molecular formula C16H9BrClNO2 and a molecular weight of 362.61 g/mol. Its IUPAC name is 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
PubChem CID63462811
Molecular FormulaC16H9BrClNO2
Molecular Weight362.61 g/mol
Exact Mass360.95
IUPAC Name2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Br)c2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H9BrClNO2/c17-10-3-1-2-9(6-10)14-8-13(16(20)21)12-5-4-11(18)7-15(12)19-14/h1-8H,(H,20,21)
InChIKeySMJMUOFEYZRLLF-UHFFFAOYSA-N
XLogP5.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.61
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
(2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2435710
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
CID 5102914
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid?
The IUPAC name of 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid (CID 63462811) is 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccc(Br)c2)nc2cc(Cl)ccc12.
What is the InChIKey of 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid?
The InChIKey is SMJMUOFEYZRLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClNO2/c17-10-3-1-2-9(6-10)14-8-13(16(20)21)12-5-4-11(18)7-15(12)19-14/h1-8H,(H,20,21).
What are the key properties of 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid?
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid has a molecular weight of 362.61 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid is sourced from PubChem (CID 63462811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).