4-amino-N-(3-bromophenyl)quinoline-2-carboxamide

C16H12BrN3O — CID 63375115

IUPAC4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)Nc2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C16H12BrN3O/c17-10-4-3-5-11(8-10)19-16(21)15-9-13(18)12-6-1-2-7-14(12)20-15/h1-9H,(H2,18,20)(H,19,21)
InChIKeyFRFINWSRNDTTJA-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.83
Rot. Bonds2

About 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide

4-amino-N-(3-bromophenyl)quinoline-2-carboxamide (PubChem CID 63375115) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
PubChem CID63375115
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)Nc2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C16H12BrN3O/c17-10-4-3-5-11(8-10)19-16(21)15-9-13(18)12-6-1-2-7-14(12)20-15/h1-9H,(H2,18,20)(H,19,21)
InChIKeyFRFINWSRNDTTJA-UHFFFAOYSA-N
XLogP3.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-bromophenyl)quinoline-2-carboxamide
CID 63375071
4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide
CID 107585398
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
CID 63375620
4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 63377505
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-(thiadiazol-5-yl)quinoline-2-carboxamide
CID 114912372
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide
CID 63483680
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide
CID 115751996
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide (CID 63375115) is 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide is Nc1cc(C(=O)Nc2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide?
The InChIKey is FRFINWSRNDTTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-10-4-3-5-11(8-10)19-16(21)15-9-13(18)12-6-1-2-7-14(12)20-15/h1-9H,(H2,18,20)(H,19,21).
What are the key properties of 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide?
4-amino-N-(3-bromophenyl)quinoline-2-carboxamide has a molecular weight of 342.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 63375115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).