ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate

C19H15F2NO3 — CID 53418933

IUPACethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2cccc(F)c2)c2cc(F)ccc2c1=O
InChIInChI=1S/C19H15F2NO3/c1-2-25-19(24)16-11-22(10-12-4-3-5-13(20)8-12)17-9-14(21)6-7-15(17)18(16)23/h3-9,11H,2,10H2,1H3
InChIKeyQULSMJAGZOPPQB-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.50
Rot. Bonds4

About ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate

ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate (PubChem CID 53418933) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
PubChem CID53418933
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Nameethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2cccc(F)c2)c2cc(F)ccc2c1=O
InChIInChI=1S/C19H15F2NO3/c1-2-25-19(24)16-11-22(10-12-4-3-5-13(20)8-12)17-9-14(21)6-7-15(17)18(16)23/h3-9,11H,2,10H2,1H3
InChIKeyQULSMJAGZOPPQB-UHFFFAOYSA-N
XLogP3.50
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(3-bromophenyl)methyl]-6-fluoro-4-oxoquinoline-3-carboxylate
CID 94674240
ethyl 1-[(3-chlorophenyl)methyl]-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 10834539
ethyl 6-bromo-1-[(3-chlorophenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 94674290
ethyl 4-oxo-1-(pyridin-4-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 53418155
ethyl 4-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 118585777
ethyl 1-[(3-fluorophenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421652
6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 20864571
[2-(3-fluoroanilino)-2-oxoethyl] 1-benzyl-4-oxoquinoline-3-carboxylate
CID 75401355
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 122188100
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
ethyl 1-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinoline-3-carboxylate
CID 53324666
1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759408

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate (CID 53418933) is ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(Cc2cccc(F)c2)c2cc(F)ccc2c1=O.
What is the InChIKey of ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate?
The InChIKey is QULSMJAGZOPPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c1-2-25-19(24)16-11-22(10-12-4-3-5-13(20)8-12)17-9-14(21)6-7-15(17)18(16)23/h3-9,11H,2,10H2,1H3.
What are the key properties of ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate?
ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate has a molecular weight of 343.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 53418933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).