3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

C24H24FNO3 — CID 7276947

IUPAC3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
SMILESO=C(OCCCOc1ccc(F)cc1)c1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C24H24FNO3/c25-17-11-13-18(14-12-17)28-15-6-16-29-24(27)23-19-7-2-1-3-9-21(19)26-22-10-5-4-8-20(22)23/h4-5,8,10-14H,1-3,6-7,9,15-16H2
InChIKeyCKJNPQQGRSWONH-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.27
Rot. Bonds6

About 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate (PubChem CID 7276947) has the molecular formula C24H24FNO3 and a molecular weight of 393.46 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
PubChem CID7276947
Molecular FormulaC24H24FNO3
Molecular Weight393.46 g/mol
Exact Mass393.17
IUPAC Name3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
SMILESO=C(OCCCOc1ccc(F)cc1)c1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C24H24FNO3/c25-17-11-13-18(14-12-17)28-15-6-16-29-24(27)23-19-7-2-1-3-9-21(19)26-22-10-5-4-8-20(22)23/h4-5,8,10-14H,1-3,6-7,9,15-16H2
InChIKeyCKJNPQQGRSWONH-UHFFFAOYSA-N
XLogP5.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate 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

2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4209036
2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2652516
2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 5021618
[2-(4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335607
2-(4-methoxyphenyl)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839905
(2-fluorophenyl)methyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7277092
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789222
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7223517
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889989
[2-(azepan-1-yl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2700776
[2-(cyclohexylamino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23771577

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate (CID 7276947) is 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate is O=C(OCCCOc1ccc(F)cc1)c1c2c(nc3ccccc13)CCCCC2.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
The InChIKey is CKJNPQQGRSWONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3/c25-17-11-13-18(14-12-17)28-15-6-16-29-24(27)23-19-7-2-1-3-9-21(19)26-22-10-5-4-8-20(22)23/h4-5,8,10-14H,1-3,6-7,9,15-16H2.
What are the key properties of 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate has a molecular weight of 393.46 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate is sourced from PubChem (CID 7276947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).