7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide

C12H10ClFN2O3 — CID 614308

IUPAC7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCO)c1c[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C12H10ClFN2O3/c13-8-4-10-6(3-9(8)14)11(18)7(5-16-10)12(19)15-1-2-17/h3-5,17H,1-2H2,(H,15,19)(H,16,18)
InChIKeyFVEAVGZQXSYUTC-UHFFFAOYSA-N
MW284.67 g/mol
LogP1.04
Rot. Bonds3

About 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide

7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 614308) has the molecular formula C12H10ClFN2O3 and a molecular weight of 284.67 g/mol. Its IUPAC name is 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID614308
Molecular FormulaC12H10ClFN2O3
Molecular Weight284.67 g/mol
Exact Mass284.04
IUPAC Name7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCO)c1c[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C12H10ClFN2O3/c13-8-4-10-6(3-9(8)14)11(18)7(5-16-10)12(19)15-1-2-17/h3-5,17H,1-2H2,(H,15,19)(H,16,18)
InChIKeyFVEAVGZQXSYUTC-UHFFFAOYSA-N
XLogP1.04
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide (CID 614308) is 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide is O=C(NCCO)c1c[nH]c2cc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FVEAVGZQXSYUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3/c13-8-4-10-6(3-9(8)14)11(18)7(5-16-10)12(19)15-1-2-17/h3-5,17H,1-2H2,(H,15,19)(H,16,18).
What are the key properties of 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide?
7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 284.67 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 614308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).