2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one

C15H13N5O — CID 103964991

IUPAC2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one
SMILESCn1cc(C2Nc3c(cnc4ccccc34)NC2=O)cn1
InChIInChI=1S/C15H13N5O/c1-20-8-9(6-17-20)13-15(21)18-12-7-16-11-5-3-2-4-10(11)14(12)19-13/h2-8,13,19H,1H3,(H,18,21)
InChIKeyYWFYQZQSHHETJN-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.07
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one

2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one (PubChem CID 103964991) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one
PubChem CID103964991
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one
SMILESCn1cc(C2Nc3c(cnc4ccccc34)NC2=O)cn1
InChIInChI=1S/C15H13N5O/c1-20-8-9(6-17-20)13-15(21)18-12-7-16-11-5-3-2-4-10(11)14(12)19-13/h2-8,13,19H,1H3,(H,18,21)
InChIKeyYWFYQZQSHHETJN-UHFFFAOYSA-N
XLogP2.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 113279731
6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289471
6-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 113316496
7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289464
2-(1-methylpyrazol-4-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
CID 104720318
2-ethyl-1,2,3,4-tetrahydropyrazino[2,3-c]quinoline
CID 103965017
2,9,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 103964912
2-methyl-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 141425510
spiro[1,4-dihydropyrazino[2,3-c]quinoline-2,1'-cyclopentane]-3-one
CID 103964955
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
CID 178065999
3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
CID 43534975
3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965076

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one (CID 103964991) is 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one is Cn1cc(C2Nc3c(cnc4ccccc34)NC2=O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one?
The InChIKey is YWFYQZQSHHETJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-20-8-9(6-17-20)13-15(21)18-12-7-16-11-5-3-2-4-10(11)14(12)19-13/h2-8,13,19H,1H3,(H,18,21).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one?
2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one has a molecular weight of 279.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one is sourced from PubChem (CID 103964991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).