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

C12H15N — CID 89263434

IUPAC7-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)c1ccc2c(c1)=NCCC=2
InChIInChI=1S/C12H15N/c1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyCTMLBCXBOQBLGV-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.61
Rot. Bonds1

About 7-propan-2-yl-2,3-dihydroquinoline

7-propan-2-yl-2,3-dihydroquinoline (PubChem CID 89263434) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 7-propan-2-yl-2,3-dihydroquinoline.

Molecular Properties

Compound Name7-propan-2-yl-2,3-dihydroquinoline
PubChem CID89263434
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name7-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)c1ccc2c(c1)=NCCC=2
InChIInChI=1S/C12H15N/c1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyCTMLBCXBOQBLGV-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-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 7-propan-2-yl-2,3-dihydroquinoline?
The IUPAC name of 7-propan-2-yl-2,3-dihydroquinoline (CID 89263434) is 7-propan-2-yl-2,3-dihydroquinoline.
What is the SMILES notation for 7-propan-2-yl-2,3-dihydroquinoline?
The canonical SMILES for 7-propan-2-yl-2,3-dihydroquinoline is CC(C)c1ccc2c(c1)=NCCC=2.
What is the InChIKey of 7-propan-2-yl-2,3-dihydroquinoline?
The InChIKey is CTMLBCXBOQBLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 7-propan-2-yl-2,3-dihydroquinoline?
7-propan-2-yl-2,3-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2,3-dihydroquinoline is sourced from PubChem (CID 89263434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).