N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide

C13H14N2O3 — CID 5295122

IUPACN-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)NCCO)c(=O)c2ccccc21
InChIInChI=1S/C13H14N2O3/c1-15-8-10(13(18)14-6-7-16)12(17)9-4-2-3-5-11(9)15/h2-5,8,16H,6-7H2,1H3,(H,14,18)
InChIKeyAYQGEUWIHHLBQF-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.26
Rot. Bonds3

About N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide

N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 5295122) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID5295122
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)NCCO)c(=O)c2ccccc21
InChIInChI=1S/C13H14N2O3/c1-15-8-10(13(18)14-6-7-16)12(17)9-4-2-3-5-11(9)15/h2-5,8,16H,6-7H2,1H3,(H,14,18)
InChIKeyAYQGEUWIHHLBQF-UHFFFAOYSA-N
XLogP0.26
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 5295122) is N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide is Cn1cc(C(=O)NCCO)c(=O)c2ccccc21.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is AYQGEUWIHHLBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-8-10(13(18)14-6-7-16)12(17)9-4-2-3-5-11(9)15/h2-5,8,16H,6-7H2,1H3,(H,14,18).
What are the key properties of N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 5295122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).