1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one

C25H25NO4 — CID 161098405

IUPAC1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one
SMILESCC1=Cc2ccccc2CC1=O.Cc1cc2ccccc2n(CC2OCCO2)c1=O
InChIInChI=1S/C14H15NO3.C11H10O/c1-10-8-11-4-2-3-5-12(11)15(14(10)16)9-13-17-6-7-18-13;1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-5,8,13H,6-7,9H2,1H3;2-6H,7H2,1H3
InChIKeyUICJVAIDQXQQNK-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.90
Rot. Bonds2

About 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one

1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one (PubChem CID 161098405) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one
PubChem CID161098405
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one
SMILESCC1=Cc2ccccc2CC1=O.Cc1cc2ccccc2n(CC2OCCO2)c1=O
InChIInChI=1S/C14H15NO3.C11H10O/c1-10-8-11-4-2-3-5-12(11)15(14(10)16)9-13-17-6-7-18-13;1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-5,8,13H,6-7,9H2,1H3;2-6H,7H2,1H3
InChIKeyUICJVAIDQXQQNK-UHFFFAOYSA-N
XLogP3.90
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one (CID 161098405) is 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one is CC1=Cc2ccccc2CC1=O.Cc1cc2ccccc2n(CC2OCCO2)c1=O.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one?
The InChIKey is UICJVAIDQXQQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3.C11H10O/c1-10-8-11-4-2-3-5-12(11)15(14(10)16)9-13-17-6-7-18-13;1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-5,8,13H,6-7,9H2,1H3;2-6H,7H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one?
1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one has a molecular weight of 403.48 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one is sourced from PubChem (CID 161098405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).