(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C17H14FNO3 — CID 18101048

IUPAC(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESO=C1CCc2cc(C(=O)OCc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C17H14FNO3/c18-14-5-1-11(2-6-14)10-22-17(21)13-3-7-15-12(9-13)4-8-16(20)19-15/h1-3,5-7,9H,4,8,10H2,(H,19,20)
InChIKeyUEOOKBNNFXAXGW-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.07
Rot. Bonds3

About (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 18101048) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID18101048
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESO=C1CCc2cc(C(=O)OCc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C17H14FNO3/c18-14-5-1-11(2-6-14)10-22-17(21)13-3-7-15-12(9-13)4-8-16(20)19-15/h1-3,5-7,9H,4,8,10H2,(H,19,20)
InChIKeyUEOOKBNNFXAXGW-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
(2-morpholin-4-yl-2-oxoethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101051
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101092
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46827513
(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61322774
(4-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665526
6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 63049807

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 18101048) is (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is O=C1CCc2cc(C(=O)OCc3ccc(F)cc3)ccc2N1.
What is the InChIKey of (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is UEOOKBNNFXAXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-14-5-1-11(2-6-14)10-22-17(21)13-3-7-15-12(9-13)4-8-16(20)19-15/h1-3,5-7,9H,4,8,10H2,(H,19,20).
What are the key properties of (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 299.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 18101048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).