7-methyl-4-propan-2-yl-8-propylquinoline

C16H21N — CID 168983866

IUPAC7-methyl-4-propan-2-yl-8-propylquinoline
SMILESCCCc1c(C)ccc2c(C(C)C)ccnc12
InChIInChI=1S/C16H21N/c1-5-6-14-12(4)7-8-15-13(11(2)3)9-10-17-16(14)15/h7-11H,5-6H2,1-4H3
InChIKeyBHDJDILSBDEIHM-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.62
Rot. Bonds3

About 7-methyl-4-propan-2-yl-8-propylquinoline

7-methyl-4-propan-2-yl-8-propylquinoline (PubChem CID 168983866) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 7-methyl-4-propan-2-yl-8-propylquinoline.

Molecular Properties

Compound Name7-methyl-4-propan-2-yl-8-propylquinoline
PubChem CID168983866
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name7-methyl-4-propan-2-yl-8-propylquinoline
SMILESCCCc1c(C)ccc2c(C(C)C)ccnc12
InChIInChI=1S/C16H21N/c1-5-6-14-12(4)7-8-15-13(11(2)3)9-10-17-16(14)15/h7-11H,5-6H2,1-4H3
InChIKeyBHDJDILSBDEIHM-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-methyl-4-propan-2-yl-8-propylquinoline 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-methyl-4-propan-2-yl-8-propylquinoline?
The IUPAC name of 7-methyl-4-propan-2-yl-8-propylquinoline (CID 168983866) is 7-methyl-4-propan-2-yl-8-propylquinoline.
What is the SMILES notation for 7-methyl-4-propan-2-yl-8-propylquinoline?
The canonical SMILES for 7-methyl-4-propan-2-yl-8-propylquinoline is CCCc1c(C)ccc2c(C(C)C)ccnc12.
What is the InChIKey of 7-methyl-4-propan-2-yl-8-propylquinoline?
The InChIKey is BHDJDILSBDEIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-5-6-14-12(4)7-8-15-13(11(2)3)9-10-17-16(14)15/h7-11H,5-6H2,1-4H3.
What are the key properties of 7-methyl-4-propan-2-yl-8-propylquinoline?
7-methyl-4-propan-2-yl-8-propylquinoline has a molecular weight of 227.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-propan-2-yl-8-propylquinoline is sourced from PubChem (CID 168983866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).