8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one

C15H17NO3 — CID 84637704

IUPAC8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one
SMILESCOc1cc(C)cc2cc(CCC(C)=O)c(=O)[nH]c12
InChIInChI=1S/C15H17NO3/c1-9-6-12-8-11(5-4-10(2)17)15(18)16-14(12)13(7-9)19-3/h6-8H,4-5H2,1-3H3,(H,16,18)
InChIKeyBGEJMXHDMBBXIE-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.37
Rot. Bonds4

About 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one

8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one (PubChem CID 84637704) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one
PubChem CID84637704
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one
SMILESCOc1cc(C)cc2cc(CCC(C)=O)c(=O)[nH]c12
InChIInChI=1S/C15H17NO3/c1-9-6-12-8-11(5-4-10(2)17)15(18)16-14(12)13(7-9)19-3/h6-8H,4-5H2,1-3H3,(H,16,18)
InChIKeyBGEJMXHDMBBXIE-UHFFFAOYSA-N
XLogP2.37
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
CID 82495434
8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one
CID 84630854
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087
N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331152
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
CID 110331533
4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331540
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110331547
N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331323
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 110331556

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one?
The IUPAC name of 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one (CID 84637704) is 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one.
What is the SMILES notation for 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one?
The canonical SMILES for 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one is COc1cc(C)cc2cc(CCC(C)=O)c(=O)[nH]c12.
What is the InChIKey of 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one?
The InChIKey is BGEJMXHDMBBXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-6-12-8-11(5-4-10(2)17)15(18)16-14(12)13(7-9)19-3/h6-8H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one?
8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one has a molecular weight of 259.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one is sourced from PubChem (CID 84637704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).