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

C20H19NO3 — CID 59398008

IUPAC1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one
SMILESCc1cc(=O)n(CC2OCCO2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C20H19NO3/c1-14-11-19(22)21(13-20-23-9-10-24-20)18-12-16(7-8-17(14)18)15-5-3-2-4-6-15/h2-8,11-12,20H,9-10,13H2,1H3
InChIKeyPWXLPTQQRGRQAQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.35
Rot. Bonds3

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

1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one (PubChem CID 59398008) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one
PubChem CID59398008
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one
SMILESCc1cc(=O)n(CC2OCCO2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C20H19NO3/c1-14-11-19(22)21(13-20-23-9-10-24-20)18-12-16(7-8-17(14)18)15-5-3-2-4-6-15/h2-8,11-12,20H,9-10,13H2,1H3
InChIKeyPWXLPTQQRGRQAQ-UHFFFAOYSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethoxyethyl)-N-(2,5-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 85996950
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
N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide
CID 13117088
2-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-(2-ethyl-3-methylphenyl)acetamide
CID 21403949
Ethyl 2-(2-oxo-4-phenylquinolin-1-yl)acetate
CID 53754678
1-(1,3-Dioxolan-2-ylmethyl)-7-methylquinolin-2(1h)-one
CID 59397835
1-(1,3-dioxolan-2-ylmethyl)quinolin-2(1H)-one
CID 59397864
1-(1,3-Dioxolan-2-ylmethyl)-7-methyl-2-oxoquinoline-4-carbaldehyde
CID 59397876
3-Bromo-1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one
CID 59397916
1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2(1H)-one
CID 59397979
1-(1,3-Dioxolan-2-ylmethyl)-4,7-dimethylquinolin-2-one
CID 59397989

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one (CID 59398008) is 1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one is Cc1cc(=O)n(CC2OCCO2)c2cc(-c3ccccc3)ccc12.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one?
The InChIKey is PWXLPTQQRGRQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-11-19(22)21(13-20-23-9-10-24-20)18-12-16(7-8-17(14)18)15-5-3-2-4-6-15/h2-8,11-12,20H,9-10,13H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one?
1-(1,3-dioxolan-2-ylmethyl)-4-methyl-7-phenylquinolin-2-one has a molecular weight of 321.38 g/mol, XLogP of 3.35, 3 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-methyl-7-phenylquinolin-2-one is sourced from PubChem (CID 59398008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).