4-(1,3-dioxolan-2-yl)-2-methylquinoline

C13H13NO2 — CID 13218052

IUPAC4-(1,3-dioxolan-2-yl)-2-methylquinoline
SMILESCc1cc(C2OCCO2)c2ccccc2n1
InChIInChI=1S/C13H13NO2/c1-9-8-11(13-15-6-7-16-13)10-4-2-3-5-12(10)14-9/h2-5,8,13H,6-7H2,1H3
InChIKeyKQLJVKQLKQBQRS-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.59
Rot. Bonds1

About 4-(1,3-dioxolan-2-yl)-2-methylquinoline

4-(1,3-dioxolan-2-yl)-2-methylquinoline (PubChem CID 13218052) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-2-methylquinoline.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-2-methylquinoline
PubChem CID13218052
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-(1,3-dioxolan-2-yl)-2-methylquinoline
SMILESCc1cc(C2OCCO2)c2ccccc2n1
InChIInChI=1S/C13H13NO2/c1-9-8-11(13-15-6-7-16-13)10-4-2-3-5-12(10)14-9/h2-5,8,13H,6-7H2,1H3
InChIKeyKQLJVKQLKQBQRS-UHFFFAOYSA-N
XLogP2.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-dioxolan-2-yl)-2-methylquinoline 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 4-(1,3-dioxolan-2-yl)-2-methylquinoline?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-2-methylquinoline (CID 13218052) is 4-(1,3-dioxolan-2-yl)-2-methylquinoline.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-2-methylquinoline?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-2-methylquinoline is Cc1cc(C2OCCO2)c2ccccc2n1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-2-methylquinoline?
The InChIKey is KQLJVKQLKQBQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-8-11(13-15-6-7-16-13)10-4-2-3-5-12(10)14-9/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)-2-methylquinoline?
4-(1,3-dioxolan-2-yl)-2-methylquinoline has a molecular weight of 215.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-2-methylquinoline is sourced from PubChem (CID 13218052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).