N-(3-amino-4-bromophenyl)quinoline-6-carboxamide

C16H12BrN3O — CID 79754299

IUPACN-(3-amino-4-bromophenyl)quinoline-6-carboxamide
SMILESNc1cc(NC(=O)c2ccc3ncccc3c2)ccc1Br
InChIInChI=1S/C16H12BrN3O/c17-13-5-4-12(9-14(13)18)20-16(21)11-3-6-15-10(8-11)2-1-7-19-15/h1-9H,18H2,(H,20,21)
InChIKeySVGWDJBNDRALRZ-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.83
Rot. Bonds2

About N-(3-amino-4-bromophenyl)quinoline-6-carboxamide

N-(3-amino-4-bromophenyl)quinoline-6-carboxamide (PubChem CID 79754299) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)quinoline-6-carboxamide
PubChem CID79754299
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC NameN-(3-amino-4-bromophenyl)quinoline-6-carboxamide
SMILESNc1cc(NC(=O)c2ccc3ncccc3c2)ccc1Br
InChIInChI=1S/C16H12BrN3O/c17-13-5-4-12(9-14(13)18)20-16(21)11-3-6-15-10(8-11)2-1-7-19-15/h1-9H,18H2,(H,20,21)
InChIKeySVGWDJBNDRALRZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
6-amino-N-quinolin-6-ylpyridine-3-carboxamide
CID 62642214
N-quinolin-6-ylbenzamide
CID 833617
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
2-hydrazinyl-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640418
aniline;molecular hydrogen;N-(4-sulfanylphenyl)quinoline-6-carboxamide;dihydrate
CID 162520932
3-amino-4-bromo-N-pyridin-3-ylbenzamide
CID 61090533

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)quinoline-6-carboxamide?
The IUPAC name of N-(3-amino-4-bromophenyl)quinoline-6-carboxamide (CID 79754299) is N-(3-amino-4-bromophenyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)quinoline-6-carboxamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)quinoline-6-carboxamide is Nc1cc(NC(=O)c2ccc3ncccc3c2)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)quinoline-6-carboxamide?
The InChIKey is SVGWDJBNDRALRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-13-5-4-12(9-14(13)18)20-16(21)11-3-6-15-10(8-11)2-1-7-19-15/h1-9H,18H2,(H,20,21).
What are the key properties of N-(3-amino-4-bromophenyl)quinoline-6-carboxamide?
N-(3-amino-4-bromophenyl)quinoline-6-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 N-(3-amino-4-bromophenyl)quinoline-6-carboxamide is sourced from PubChem (CID 79754299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).