quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate

C23H21FN2O2 — CID 72710774

IUPACquinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21/h2-3,6-12,14,16H,1,4-5,13,15H2
InChIKeyMBOCMBFDYVSGLJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.55
Rot. Bonds7

About quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate

quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate (PubChem CID 72710774) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate
PubChem CID72710774
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Namequinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21/h2-3,6-12,14,16H,1,4-5,13,15H2
InChIKeyMBOCMBFDYVSGLJ-UHFFFAOYSA-N
XLogP5.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzoxiquine
CID 6855
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
NM-2201
CID 91864534
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
FUB-PB-22 compound
CID 91936864
1-Naphthalenyl 1-((4-fluorophenyl)methyl)-1H-indole-3-carboxylate
CID 119025888
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
7-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11546775
1-[2-(2,5-dimethylphenoxy)ethyl]indole-3-carboxylic Acid
CID 7345532
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 46919792
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
1-[1-(2-o-Tolyloxy-ethyl)-1H-indol-3-yl]-ethanone
CID 951675

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The IUPAC name of quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate (CID 72710774) is quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate.
What is the SMILES notation for quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The canonical SMILES for quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate is O=C(Oc1cccc2cccnc12)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate?
The InChIKey is MBOCMBFDYVSGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21/h2-3,6-12,14,16H,1,4-5,13,15H2.
What are the key properties of quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate?
quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate is sourced from PubChem (CID 72710774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).