ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate

C19H16FNO4 — CID 10382679

IUPACethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(OCc3ccccc3)cc(F)cc2c1=O
InChIInChI=1S/C19H16FNO4/c1-2-24-19(23)15-10-21-17-14(18(15)22)8-13(20)9-16(17)25-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyKHMPXLGZEYDSPY-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.42
Rot. Bonds5

About ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate

ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate (PubChem CID 10382679) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
PubChem CID10382679
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Nameethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(OCc3ccccc3)cc(F)cc2c1=O
InChIInChI=1S/C19H16FNO4/c1-2-24-19(23)15-10-21-17-14(18(15)22)8-13(20)9-16(17)25-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyKHMPXLGZEYDSPY-UHFFFAOYSA-N
XLogP3.42
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
CID 19914495
diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
CID 561266
chlorobenzene;ethyl 6,8-difluoro-4-sulfanylidene-1H-quinoline-3-carboxylate
CID 19032482
ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 15675226
ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 69129154
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 69373567
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate (CID 10382679) is ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2c(OCc3ccccc3)cc(F)cc2c1=O.
What is the InChIKey of ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate?
The InChIKey is KHMPXLGZEYDSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-2-24-19(23)15-10-21-17-14(18(15)22)8-13(20)9-16(17)25-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate?
ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate has a molecular weight of 341.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate is sourced from PubChem (CID 10382679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).