3-propan-2-yl-2,3-dihydroquinoline

C12H15N — CID 166788784

IUPAC3-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)C1C=c2ccccc2=NC1
InChIInChI=1S/C12H15N/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11/h3-7,9,11H,8H2,1-2H3
InChIKeyAOHYVZAKXBXANS-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.37
Rot. Bonds1

About 3-propan-2-yl-2,3-dihydroquinoline

3-propan-2-yl-2,3-dihydroquinoline (PubChem CID 166788784) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-propan-2-yl-2,3-dihydroquinoline.

Molecular Properties

Compound Name3-propan-2-yl-2,3-dihydroquinoline
PubChem CID166788784
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)C1C=c2ccccc2=NC1
InChIInChI=1S/C12H15N/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11/h3-7,9,11H,8H2,1-2H3
InChIKeyAOHYVZAKXBXANS-UHFFFAOYSA-N
XLogP1.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-2,3-dihydroquinoline 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 3-propan-2-yl-2,3-dihydroquinoline?
The IUPAC name of 3-propan-2-yl-2,3-dihydroquinoline (CID 166788784) is 3-propan-2-yl-2,3-dihydroquinoline.
What is the SMILES notation for 3-propan-2-yl-2,3-dihydroquinoline?
The canonical SMILES for 3-propan-2-yl-2,3-dihydroquinoline is CC(C)C1C=c2ccccc2=NC1.
What is the InChIKey of 3-propan-2-yl-2,3-dihydroquinoline?
The InChIKey is AOHYVZAKXBXANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3-dihydroquinoline?
3-propan-2-yl-2,3-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3-dihydroquinoline is sourced from PubChem (CID 166788784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).