4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline

C19H22FN — CID 11243070

IUPAC4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline
SMILESCCCCc1c(F)c(C2=CCCCC2)nc2ccccc12
InChIInChI=1S/C19H22FN/c1-2-3-11-16-15-12-7-8-13-17(15)21-19(18(16)20)14-9-5-4-6-10-14/h7-9,12-13H,2-6,10-11H2,1H3
InChIKeyDTDGTRYQGYVURA-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.67
Rot. Bonds4

About 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline

4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline (PubChem CID 11243070) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline.

Molecular Properties

Compound Name4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline
PubChem CID11243070
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline
SMILESCCCCc1c(F)c(C2=CCCCC2)nc2ccccc12
InChIInChI=1S/C19H22FN/c1-2-3-11-16-15-12-7-8-13-17(15)21-19(18(16)20)14-9-5-4-6-10-14/h7-9,12-13H,2-6,10-11H2,1H3
InChIKeyDTDGTRYQGYVURA-UHFFFAOYSA-N
XLogP5.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline 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

4-butyl-3-fluoro-2-iodoquinoline
CID 11348043
9-butylacridine
CID 606127
[2-(cyclohexen-1-yl)quinolin-3-yl]-trimethylsilane
CID 140669508
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
2-(cyclohexen-1-yl)-3-methoxyquinoline
CID 140669525
9,10-dibutylanthracene
CID 605822
4-butyl-3-methylquinoline
CID 153439340
[(3-butyl-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile
CID 71594250
[4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane
CID 162621570
9-(8-acridin-9-yloctyl)acridine
CID 10504492
6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline
CID 86078546
2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole
CID 102109258

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline?
The IUPAC name of 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline (CID 11243070) is 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline.
What is the SMILES notation for 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline?
The canonical SMILES for 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline is CCCCc1c(F)c(C2=CCCCC2)nc2ccccc12.
What is the InChIKey of 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline?
The InChIKey is DTDGTRYQGYVURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-2-3-11-16-15-12-7-8-13-17(15)21-19(18(16)20)14-9-5-4-6-10-14/h7-9,12-13H,2-6,10-11H2,1H3.
What are the key properties of 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline?
4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline has a molecular weight of 283.39 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(cyclohexen-1-yl)-3-fluoroquinoline is sourced from PubChem (CID 11243070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).