N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide

C13H11F3N2O4 — CID 91640381

IUPACN-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide
SMILESO=C(NCCO)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O
InChIInChI=1S/C13H11F3N2O4/c14-13(15,16)22-9-3-1-2-7-10(9)18-6-8(11(7)20)12(21)17-4-5-19/h1-3,6,19H,4-5H2,(H,17,21)(H,18,20)
InChIKeyYDPRVEIMDJQPOC-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.15
Rot. Bonds4

About N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide

N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide (PubChem CID 91640381) has the molecular formula C13H11F3N2O4 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide
PubChem CID91640381
Molecular FormulaC13H11F3N2O4
Molecular Weight316.24 g/mol
Exact Mass316.07
IUPAC NameN-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide
SMILESO=C(NCCO)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O
InChIInChI=1S/C13H11F3N2O4/c14-13(15,16)22-9-3-1-2-7-10(9)18-6-8(11(7)20)12(21)17-4-5-19/h1-3,6,19H,4-5H2,(H,17,21)(H,18,20)
InChIKeyYDPRVEIMDJQPOC-UHFFFAOYSA-N
XLogP1.15
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide (CID 91640381) is N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide is O=C(NCCO)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide?
The InChIKey is YDPRVEIMDJQPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4/c14-13(15,16)22-9-3-1-2-7-10(9)18-6-8(11(7)20)12(21)17-4-5-19/h1-3,6,19H,4-5H2,(H,17,21)(H,18,20).
What are the key properties of N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide?
N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 91640381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).