1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one

C14H15NO3 — CID 59397979

IUPAC1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC2OCCO2)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-10-8-13(16)15(9-14-17-6-7-18-14)12-5-3-2-4-11(10)12/h2-5,8,14H,6-7,9H2,1H3
InChIKeyOWINCLUIVSWNMM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.68
Rot. Bonds2

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

1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one (PubChem CID 59397979) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one
PubChem CID59397979
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC2OCCO2)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-10-8-13(16)15(9-14-17-6-7-18-14)12-5-3-2-4-11(10)12/h2-5,8,14H,6-7,9H2,1H3
InChIKeyOWINCLUIVSWNMM-UHFFFAOYSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.68
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
Quinoline, 1,2-dihydro-1-methoxyacetyl-
CID 207819
N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
CID 85996944
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
3-(2-Methylphenyl)-1,3-oxazolidin-2-one
CID 14120199
Ethyl 2-[2-Oxoquinolin-1(2H)-yl]acetate
CID 64104254
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-4-fluorophenyl)acetamide
CID 21403898
N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide
CID 21447789
1-(1,3-Dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one
CID 59397940
N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 70638482
6'ethyl)-N-(2-propoxyethyl acetanilide
CID 134822181

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one (CID 59397979) is 1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one is Cc1cc(=O)n(CC2OCCO2)c2ccccc12.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one?
The InChIKey is OWINCLUIVSWNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-8-13(16)15(9-14-17-6-7-18-14)12-5-3-2-4-11(10)12/h2-5,8,14H,6-7,9H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one?
1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.68, 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-methylquinolin-2-one is sourced from PubChem (CID 59397979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).