ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate

C19H16FNO3 — CID 11759171

IUPACethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cc2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H16FNO3/c1-2-24-19(23)17-15(11-12-7-9-13(20)10-8-12)14-5-3-4-6-16(14)21-18(17)22/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeySNPPHJDINXMEMN-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.43
Rot. Bonds4

About ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 11759171) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate
PubChem CID11759171
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Nameethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cc2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H16FNO3/c1-2-24-19(23)17-15(11-12-7-9-13(20)10-8-12)14-5-3-4-6-16(14)21-18(17)22/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeySNPPHJDINXMEMN-UHFFFAOYSA-N
XLogP3.43
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
4-Benzyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
CID 17865255
Methyl 4-amino-1-octyl-2-oxoquinoline-3-carboxylate
CID 1952833
ethyl 4-butyl-6-chloro-2-oxo-1H-quinoline-3-carboxylate
CID 15959221
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinecarboxylate
CID 738703
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 913206
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2437214
ethyl (E)-4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate
CID 5730500

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate (CID 11759171) is ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(Cc2ccc(F)cc2)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is SNPPHJDINXMEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-2-24-19(23)17-15(11-12-7-9-13(20)10-8-12)14-5-3-4-6-16(14)21-18(17)22/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 11759171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).