2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid

C12H11FN2O3 — CID 118936154

IUPAC2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C12H11FN2O3/c13-9-2-1-7-5-8(3-4-14-12(17)18)11(16)15-10(7)6-9/h1-2,5-6,14H,3-4H2,(H,15,16)(H,17,18)
InChIKeyMXDJSDCHKSTBNV-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.48
Rot. Bonds3

About 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid

2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid (PubChem CID 118936154) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
PubChem CID118936154
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C12H11FN2O3/c13-9-2-1-7-5-8(3-4-14-12(17)18)11(16)15-10(7)6-9/h1-2,5-6,14H,3-4H2,(H,15,16)(H,17,18)
InChIKeyMXDJSDCHKSTBNV-UHFFFAOYSA-N
XLogP1.48
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110418371
N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110420828
N-(4-acetamidophenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110423904
N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110407034
N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110406868
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110415150
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 110674030
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110674032
3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110674043

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid?
The IUPAC name of 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid (CID 118936154) is 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid?
The canonical SMILES for 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid is O=C(O)NCCc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid?
The InChIKey is MXDJSDCHKSTBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-9-2-1-7-5-8(3-4-14-12(17)18)11(16)15-10(7)6-9/h1-2,5-6,14H,3-4H2,(H,15,16)(H,17,18).
What are the key properties of 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid?
2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid has a molecular weight of 250.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid is sourced from PubChem (CID 118936154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).