N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C15H12BrN3O2 — CID 103857166

IUPACN-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3ccncc3Br)ccc2N1
InChIInChI=1S/C15H12BrN3O2/c16-11-8-17-6-5-13(11)19-15(21)10-1-3-12-9(7-10)2-4-14(20)18-12/h1,3,5-8H,2,4H2,(H,18,20)(H,17,19,21)
InChIKeyHIXPMDKNBNVPES-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.98
Rot. Bonds2

About N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 103857166) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID103857166
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3ccncc3Br)ccc2N1
InChIInChI=1S/C15H12BrN3O2/c16-11-8-17-6-5-13(11)19-15(21)10-1-3-12-9(7-10)2-4-14(20)18-12/h1,3,5-8H,2,4H2,(H,18,20)(H,17,19,21)
InChIKeyHIXPMDKNBNVPES-UHFFFAOYSA-N
XLogP2.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103874392
N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712636
2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18107678
N-(2-carbamoylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761862
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
CID 112548050
N-(2-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858427
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120881042
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyridazine-4-carboxamide
CID 145472242

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 103857166) is N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)Nc3ccncc3Br)ccc2N1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is HIXPMDKNBNVPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-11-8-17-6-5-13(11)19-15(21)10-1-3-12-9(7-10)2-4-14(20)18-12/h1,3,5-8H,2,4H2,(H,18,20)(H,17,19,21).
What are the key properties of N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 103857166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).