4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one

C15H14N4O2 — CID 62170717

IUPAC4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCNc1ccnc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C15H14N4O2/c1-16-10-6-7-17-12(8-10)15(21)19-9-14(20)18-11-4-2-3-5-13(11)19/h2-8H,9H2,1H3,(H,16,17)(H,18,20)
InChIKeyKMMBWRPQJNGZCK-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.72
Rot. Bonds2

About 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 62170717) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID62170717
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCNc1ccnc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C15H14N4O2/c1-16-10-6-7-17-12(8-10)15(21)19-9-14(20)18-11-4-2-3-5-13(11)19/h2-8H,9H2,1H3,(H,16,17)(H,18,20)
InChIKeyKMMBWRPQJNGZCK-UHFFFAOYSA-N
XLogP1.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 55750839
1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone
CID 55049769
4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 69226926
4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107722296
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-(4-fluoro-2-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 115745127
4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 61059136
4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 79764947
4-(1,3-dimethylpyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 103662293
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62930528
4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 64524021

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 62170717) is 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one is CNc1ccnc(C(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is KMMBWRPQJNGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-16-10-6-7-17-12(8-10)15(21)19-9-14(20)18-11-4-2-3-5-13(11)19/h2-8H,9H2,1H3,(H,16,17)(H,18,20).
What are the key properties of 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 282.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 62170717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).