3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate

C20H11ClNO2- — CID 4184777

IUPAC3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2Cl)nc2ccc3ccccc3c12
InChIInChI=1S/C20H12ClNO2/c21-16-8-4-3-7-14(16)18-11-15(20(23)24)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11H,(H,23,24)/p-1
InChIKeyZSDDSIFTHLPTRC-UHFFFAOYSA-M
MW332.77 g/mol
LogP4.07
Rot. Bonds2

About 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate

3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate (PubChem CID 4184777) has the molecular formula C20H11ClNO2- and a molecular weight of 332.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate.

Molecular Properties

Compound Name3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate
PubChem CID4184777
Molecular FormulaC20H11ClNO2-
Molecular Weight332.77 g/mol
Exact Mass332.05
IUPAC Name3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2Cl)nc2ccc3ccccc3c12
InChIInChI=1S/C20H12ClNO2/c21-16-8-4-3-7-14(16)18-11-15(20(23)24)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11H,(H,23,24)/p-1
InChIKeyZSDDSIFTHLPTRC-UHFFFAOYSA-M
XLogP4.07
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
CID 4278514
3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate
CID 7037984
3-(3-chloro-4,5-diethoxyphenyl)benzo[f]quinoline-1-carboxylate
CID 4520507
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622
3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
CID 1015909

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate?
The IUPAC name of 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate (CID 4184777) is 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate.
What is the SMILES notation for 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate?
The canonical SMILES for 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate is O=C([O-])c1cc(-c2ccccc2Cl)nc2ccc3ccccc3c12.
What is the InChIKey of 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate?
The InChIKey is ZSDDSIFTHLPTRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H12ClNO2/c21-16-8-4-3-7-14(16)18-11-15(20(23)24)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11H,(H,23,24)/p-1.
What are the key properties of 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate?
3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate has a molecular weight of 332.77 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate is sourced from PubChem (CID 4184777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).