1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one

C15H17NO3 — CID 59397989

IUPAC1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one
SMILESCc1ccc2c(C)cc(=O)n(CC3OCCO3)c2c1
InChIInChI=1S/C15H17NO3/c1-10-3-4-12-11(2)8-14(17)16(13(12)7-10)9-15-18-5-6-19-15/h3-4,7-8,15H,5-6,9H2,1-2H3
InChIKeyDLCHZTMXOBWXSO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.99
Rot. Bonds2

About 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one

1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one (PubChem CID 59397989) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one
PubChem CID59397989
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one
SMILESCc1ccc2c(C)cc(=O)n(CC3OCCO3)c2c1
InChIInChI=1S/C15H17NO3/c1-10-3-4-12-11(2)8-14(17)16(13(12)7-10)9-15-18-5-6-19-15/h3-4,7-8,15H,5-6,9H2,1-2H3
InChIKeyDLCHZTMXOBWXSO-UHFFFAOYSA-N
XLogP1.99
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-methyl-2-oxo-1(2H)-quinolinyl]acetate
CID 285479
3-Butyl-7-(((2,2-dimethoxyethyl)amino)methyl)-4-pentyl-2-quinolinol
CID 379135
N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-(3-methylphenyl)acetamide
CID 85996945
N-(2,2-diethoxyethyl)-N-(2,5-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 85996950
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide
CID 21403898
1-(1,3-Dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one
CID 59397940
1-(2,2-Diethoxyethyl)-7-(trifluoromethyl)quinolin-2-one
CID 152562286
1-(2-Ethoxyethyl)-4-methylquinolin-2-one
CID 269193
N-alpha-chloroacetyl-N-(1,3-dioxolan-2-ylmethyl)-2-ethyl-6-methylaniline
CID 19758543
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-methylphenyl)propanamide
CID 19834594
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethylphenyl)acetamide
CID 21403917
2-bromo-N-(2,6-diethylphenyl)-N-(1,3-dioxolan-2-ylmethyl)acetamide
CID 21403940

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one (CID 59397989) is 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one is Cc1ccc2c(C)cc(=O)n(CC3OCCO3)c2c1.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one?
The InChIKey is DLCHZTMXOBWXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-3-4-12-11(2)8-14(17)16(13(12)7-10)9-15-18-5-6-19-15/h3-4,7-8,15H,5-6,9H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one?
1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one is sourced from PubChem (CID 59397989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).