4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid

C16H10BrNO2S — CID 61340802

IUPAC4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Sc1ccccc1Br
InChIInChI=1S/C16H10BrNO2S/c17-12-6-2-4-8-14(12)21-15-10-5-1-3-7-13(10)18-9-11(15)16(19)20/h1-9H,(H,19,20)
InChIKeyAWJNJQKHUOHCHI-UHFFFAOYSA-N
MW360.23 g/mol
LogP4.85
Rot. Bonds3

About 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid

4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid (PubChem CID 61340802) has the molecular formula C16H10BrNO2S and a molecular weight of 360.23 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid
PubChem CID61340802
Molecular FormulaC16H10BrNO2S
Molecular Weight360.23 g/mol
Exact Mass358.96
IUPAC Name4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Sc1ccccc1Br
InChIInChI=1S/C16H10BrNO2S/c17-12-6-2-4-8-14(12)21-15-10-5-1-3-7-13(10)18-9-11(15)16(19)20/h1-9H,(H,19,20)
InChIKeyAWJNJQKHUOHCHI-UHFFFAOYSA-N
XLogP4.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxybutan-2-ylsulfanyl)quinoline-3-carboxylic acid
CID 107770192
3-bromoquinoline-4-carboxylic acid
CID 119083564
4-(3-methoxypropylsulfanyl)quinoline-3-carboxylic acid
CID 63858059
2-[(3-bromo-4-pyridinyl)sulfanyl]benzoic acid
CID 104776612
2-(2-bromophenyl)sulfanyl-3-nitrobenzoic acid
CID 610867
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
4-(1-methoxyethyl)quinoline-3-carboxylic acid
CID 135324304
4-(oxolan-2-ylmethylsulfanyl)quinoline-3-carboxylic acid
CID 106493768
2-[(2-bromophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 66144099
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
2-(2-bromophenyl)sulfanyl-4-methoxybenzoic acid
CID 81308598
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid?
The IUPAC name of 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid (CID 61340802) is 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid?
The canonical SMILES for 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1Sc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid?
The InChIKey is AWJNJQKHUOHCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2S/c17-12-6-2-4-8-14(12)21-15-10-5-1-3-7-13(10)18-9-11(15)16(19)20/h1-9H,(H,19,20).
What are the key properties of 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid?
4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid has a molecular weight of 360.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid is sourced from PubChem (CID 61340802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).