1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one

C15H17NO3 — CID 110635249

IUPAC1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2C(=O)C1CCC1
InChIInChI=1S/C15H17NO3/c1-19-11-5-6-13-12(9-11)14(17)7-8-16(13)15(18)10-3-2-4-10/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyNDFFWPIMJOZPDP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.41
Rot. Bonds2

About 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one

1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635249) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635249
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2C(=O)C1CCC1
InChIInChI=1S/C15H17NO3/c1-19-11-5-6-13-12(9-11)14(17)7-8-16(13)15(18)10-3-2-4-10/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyNDFFWPIMJOZPDP-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentanecarbonyl)-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635059
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817
cyclobutyl-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637163
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
CID 110635212
cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305140
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110742280
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 15994355
(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119760457
(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361748

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one (CID 110635249) is 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)C(=O)CCN2C(=O)C1CCC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is NDFFWPIMJOZPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-19-11-5-6-13-12(9-11)14(17)7-8-16(13)15(18)10-3-2-4-10/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one?
1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 259.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).