5-butyl-2-(2-methylpropyl)quinoline

C17H23N — CID 143699730

IUPAC5-butyl-2-(2-methylpropyl)quinoline
SMILESCCCCc1cccc2nc(CC(C)C)ccc12
InChIInChI=1S/C17H23N/c1-4-5-7-14-8-6-9-17-16(14)11-10-15(18-17)12-13(2)3/h6,8-11,13H,4-5,7,12H2,1-3H3
InChIKeyFPNIIWKGLPPHPI-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.78
Rot. Bonds5

About 5-butyl-2-(2-methylpropyl)quinoline

5-butyl-2-(2-methylpropyl)quinoline (PubChem CID 143699730) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-butyl-2-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name5-butyl-2-(2-methylpropyl)quinoline
PubChem CID143699730
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name5-butyl-2-(2-methylpropyl)quinoline
SMILESCCCCc1cccc2nc(CC(C)C)ccc12
InChIInChI=1S/C17H23N/c1-4-5-7-14-8-6-9-17-16(14)11-10-15(18-17)12-13(2)3/h6,8-11,13H,4-5,7,12H2,1-3H3
InChIKeyFPNIIWKGLPPHPI-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-butyl-2-(2-methylpropyl)quinoline with MolForge

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

Launch Full Analysis

Related Compounds

1-butylnaphthalene;ethane
CID 142087052
1-octadecylacridine
CID 87175858
azane;1-butylnaphthalene;methane
CID 174691035
2-(2-methylpropyl)-1,5-naphthyridine
CID 58854024
1-hexadecylacridine;hydrochloride
CID 172754650
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
2-fluoro-1-(2-methylpropyl)-3-pentylbenzene
CID 173291771
4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
2-(2-methylpropyl)-4-propan-2-ylquinoline
CID 175426775
9-butylacridine
CID 606127
1-tetradecylnaphthalene
CID 14402128

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2-methylpropyl)quinoline?
The IUPAC name of 5-butyl-2-(2-methylpropyl)quinoline (CID 143699730) is 5-butyl-2-(2-methylpropyl)quinoline.
What is the SMILES notation for 5-butyl-2-(2-methylpropyl)quinoline?
The canonical SMILES for 5-butyl-2-(2-methylpropyl)quinoline is CCCCc1cccc2nc(CC(C)C)ccc12.
What is the InChIKey of 5-butyl-2-(2-methylpropyl)quinoline?
The InChIKey is FPNIIWKGLPPHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-5-7-14-8-6-9-17-16(14)11-10-15(18-17)12-13(2)3/h6,8-11,13H,4-5,7,12H2,1-3H3.
What are the key properties of 5-butyl-2-(2-methylpropyl)quinoline?
5-butyl-2-(2-methylpropyl)quinoline has a molecular weight of 241.38 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2-methylpropyl)quinoline is sourced from PubChem (CID 143699730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).