1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one

C14H15NO3 — CID 59397835

IUPAC1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one
SMILESCc1ccc2ccc(=O)n(CC3OCCO3)c2c1
InChIInChI=1S/C14H15NO3/c1-10-2-3-11-4-5-13(16)15(12(11)8-10)9-14-17-6-7-18-14/h2-5,8,14H,6-7,9H2,1H3
InChIKeyLFFKDPYMDULBIA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.68
Rot. Bonds2

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

1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one (PubChem CID 59397835) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one
PubChem CID59397835
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one
SMILESCc1ccc2ccc(=O)n(CC3OCCO3)c2c1
InChIInChI=1S/C14H15NO3/c1-10-2-3-11-4-5-13(16)15(12(11)8-10)9-14-17-6-7-18-14/h2-5,8,14H,6-7,9H2,1H3
InChIKeyLFFKDPYMDULBIA-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

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
Ethyl 2-[2-Oxoquinolin-1(2H)-yl]acetate
CID 64104254
1-(1,3-Dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one
CID 59397940
1-Allyl-7-methylquinolin-2(1h)-one
CID 134158684
Ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate
CID 81297624
1-(2,2-Diethoxyethyl)-7-(trifluoromethyl)quinolin-2-one
CID 152562286
1-(2-Ethoxyethyl)-4-methylquinolin-2-one
CID 269193
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-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide
CID 21403949
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-propylphenyl)acetamide
CID 21403973

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one (CID 59397835) is 1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one is Cc1ccc2ccc(=O)n(CC3OCCO3)c2c1.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one?
The InChIKey is LFFKDPYMDULBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-2-3-11-4-5-13(16)15(12(11)8-10)9-14-17-6-7-18-14/h2-5,8,14H,6-7,9H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-7-methylquinolin-2-one?
1-(1,3-dioxolan-2-ylmethyl)-7-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)-7-methylquinolin-2-one is sourced from PubChem (CID 59397835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).