2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate

C19H14ClNO2 — CID 16569364

IUPAC2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate
SMILESC=C(Cl)COC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H14ClNO2/c1-13(20)12-23-19(22)16-11-18(14-7-3-2-4-8-14)21-17-10-6-5-9-15(16)17/h2-11H,1,12H2
InChIKeyQXWQOTDHRYARGK-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.81
Rot. Bonds4

About 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate

2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate (PubChem CID 16569364) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate
PubChem CID16569364
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate
SMILESC=C(Cl)COC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H14ClNO2/c1-13(20)12-23-19(22)16-11-18(14-7-3-2-4-8-14)21-17-10-6-5-9-15(16)17/h2-11H,1,12H2
InChIKeyQXWQOTDHRYARGK-UHFFFAOYSA-N
XLogP4.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
4-chlorobutyl 2-phenylquinoline-4-carboxylate
CID 166607303
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3497845
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate
CID 23733264
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
triethylplumbyl 2-phenylquinoline-4-carboxylate
CID 16683347
prop-2-ynyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 91689203
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate?
The IUPAC name of 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate (CID 16569364) is 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate?
The canonical SMILES for 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate is C=C(Cl)COC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate?
The InChIKey is QXWQOTDHRYARGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c1-13(20)12-23-19(22)16-11-18(14-7-3-2-4-8-14)21-17-10-6-5-9-15(16)17/h2-11H,1,12H2.
What are the key properties of 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate?
2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate has a molecular weight of 323.78 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 16569364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).