N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C12H16N2O3 — CID 54676144

IUPACN-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C12H16N2O3/c1-2-13-11(16)9-10(15)7-5-3-4-6-8(7)14-12(9)17/h2-6H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyGEHPQIPXXNNTNF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.71
Rot. Bonds2

About N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54676144) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54676144
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C12H16N2O3/c1-2-13-11(16)9-10(15)7-5-3-4-6-8(7)14-12(9)17/h2-6H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyGEHPQIPXXNNTNF-UHFFFAOYSA-N
XLogP0.71
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54676144) is N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is GEHPQIPXXNNTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-13-11(16)9-10(15)7-5-3-4-6-8(7)14-12(9)17/h2-6H2,1H3,(H,13,16)(H2,14,15,17).
What are the key properties of N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54676144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).