4-(3-bromoanilino)quinoline-3-carboxylic acid

C16H11BrN2O2 — CID 22466647

IUPAC4-(3-bromoanilino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Nc1cccc(Br)c1
InChIInChI=1S/C16H11BrN2O2/c17-10-4-3-5-11(8-10)19-15-12-6-1-2-7-14(12)18-9-13(15)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyRVLCDEDGRPEEFE-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.44
Rot. Bonds3

About 4-(3-bromoanilino)quinoline-3-carboxylic acid

4-(3-bromoanilino)quinoline-3-carboxylic acid (PubChem CID 22466647) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 4-(3-bromoanilino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromoanilino)quinoline-3-carboxylic acid
PubChem CID22466647
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name4-(3-bromoanilino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Nc1cccc(Br)c1
InChIInChI=1S/C16H11BrN2O2/c17-10-4-3-5-11(8-10)19-15-12-6-1-2-7-14(12)18-9-13(15)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyRVLCDEDGRPEEFE-UHFFFAOYSA-N
XLogP4.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-iodoanilino)quinoline-3-carboxylic acid
CID 63538814
4-(3-bromoanilino)quinoline-3-carbothioamide
CID 43669593
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035
2-(3-bromoanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181581
2-[[2-(3-bromoanilino)-3,4-dioxocyclobuten-1-yl]amino]benzoic acid
CID 18473844
[4-(4-bromoanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001674
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
CID 155927197

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(3-bromoanilino)quinoline-3-carboxylic acid (CID 22466647) is 4-(3-bromoanilino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(3-bromoanilino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(3-bromoanilino)quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1Nc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromoanilino)quinoline-3-carboxylic acid?
The InChIKey is RVLCDEDGRPEEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-10-4-3-5-11(8-10)19-15-12-6-1-2-7-14(12)18-9-13(15)16(20)21/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 4-(3-bromoanilino)quinoline-3-carboxylic acid?
4-(3-bromoanilino)quinoline-3-carboxylic acid has a molecular weight of 343.18 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoanilino)quinoline-3-carboxylic acid is sourced from PubChem (CID 22466647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).