(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate

C23H15ClFNO2 — CID 7701146

IUPAC(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1ccccc1F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H15ClFNO2/c24-17-11-9-15(10-12-17)22-13-19(18-6-2-4-8-21(18)26-22)23(27)28-14-16-5-1-3-7-20(16)25/h1-13H,14H2
InChIKeyVAOXYFBBZCAAEV-UHFFFAOYSA-N
MW391.83 g/mol
LogP6.05
Rot. Bonds4

About (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate

(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate (PubChem CID 7701146) has the molecular formula C23H15ClFNO2 and a molecular weight of 391.83 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
PubChem CID7701146
Molecular FormulaC23H15ClFNO2
Molecular Weight391.83 g/mol
Exact Mass391.08
IUPAC Name(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1ccccc1F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H15ClFNO2/c24-17-11-9-15(10-12-17)22-13-19(18-6-2-4-8-21(18)26-22)23(27)28-14-16-5-1-3-7-20(16)25/h1-13H,14H2
InChIKeyVAOXYFBBZCAAEV-UHFFFAOYSA-N
XLogP6.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.83
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 23940568
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2114772
(4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4317216
naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3939151
(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2433435
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081679
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 41477143
(2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2435710
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4002009
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate (CID 7701146) is (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate is O=C(OCc1ccccc1F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is VAOXYFBBZCAAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFNO2/c24-17-11-9-15(10-12-17)22-13-19(18-6-2-4-8-21(18)26-22)23(27)28-14-16-5-1-3-7-20(16)25/h1-13H,14H2.
What are the key properties of (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate?
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 391.83 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 7701146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).