1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one

C15H13NO3 — CID 11780088

IUPAC1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one
SMILESCn1c(=O)c(C2CC(=O)C=CO2)cc2ccccc21
InChIInChI=1S/C15H13NO3/c1-16-13-5-3-2-4-10(13)8-12(15(16)18)14-9-11(17)6-7-19-14/h2-8,14H,9H2,1H3
InChIKeyKDOYZABTPGBETJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.08
Rot. Bonds1

About 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one

1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one (PubChem CID 11780088) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one
PubChem CID11780088
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one
SMILESCn1c(=O)c(C2CC(=O)C=CO2)cc2ccccc21
InChIInChI=1S/C15H13NO3/c1-16-13-5-3-2-4-10(13)8-12(15(16)18)14-9-11(17)6-7-19-14/h2-8,14H,9H2,1H3
InChIKeyKDOYZABTPGBETJ-UHFFFAOYSA-N
XLogP2.08
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclooctyl-1-methylquinolin-2-one
CID 166438845
1-methyl-3-(4-oxocyclohexyl)quinolin-2-one
CID 116985109
3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one
CID 116985108
carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium
CID 11013373
2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
CID 79583873
(4S)-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045869
1-methyl-3-[(4R)-6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]quinolin-2-one
CID 136887647
3-iodo-1-methylquinolin-2-one
CID 15733001
3-amino-1-methylquinolin-2-one
CID 19417653
1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
CID 166443267
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one
CID 79977331

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one?
The IUPAC name of 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one (CID 11780088) is 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one.
What is the SMILES notation for 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one?
The canonical SMILES for 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one is Cn1c(=O)c(C2CC(=O)C=CO2)cc2ccccc21.
What is the InChIKey of 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one?
The InChIKey is KDOYZABTPGBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-16-13-5-3-2-4-10(13)8-12(15(16)18)14-9-11(17)6-7-19-14/h2-8,14H,9H2,1H3.
What are the key properties of 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one?
1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one has a molecular weight of 255.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one is sourced from PubChem (CID 11780088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).