6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one

C15H17NO3 — CID 116921112

IUPAC6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)C3(CO)CC3)ccc21
InChIInChI=1S/C15H17NO3/c1-16-12-4-2-11(8-10(12)3-5-13(16)18)14(19)15(9-17)6-7-15/h2,4,8,17H,3,5-7,9H2,1H3
InChIKeyYYZVKXJNDIGKNZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.55
Rot. Bonds3

About 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116921112) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116921112
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)C3(CO)CC3)ccc21
InChIInChI=1S/C15H17NO3/c1-16-12-4-2-11(8-10(12)3-5-13(16)18)14(19)15(9-17)6-7-15/h2,4,8,17H,3,5-7,9H2,1H3
InChIKeyYYZVKXJNDIGKNZ-UHFFFAOYSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
3-hydroxypropyl 1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylate
CID 116863021
3-bromo-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propane-1,2-dione
CID 116822726
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
CID 63095218
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530960
4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-oxobut-2-enoic acid
CID 77054964
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512742
1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
CID 82284659
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081
6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116826594
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183

Frequently Asked Questions

What is the IUPAC name of 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 116921112) is 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(=O)C3(CO)CC3)ccc21.
What is the InChIKey of 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is YYZVKXJNDIGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16-12-4-2-11(8-10(12)3-5-13(16)18)14(19)15(9-17)6-7-15/h2,4,8,17H,3,5-7,9H2,1H3.
What are the key properties of 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116921112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).