N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide

C15H16N2O3 — CID 115776313

IUPACN-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide
SMILESC=CCN(CCO)C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C15H16N2O3/c1-2-7-17(8-9-18)15(20)13-10-14(19)11-5-3-4-6-12(11)16-13/h2-6,10,18H,1,7-9H2,(H,16,19)
InChIKeyUWNCBVBSWWYTJK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.15
Rot. Bonds5

About N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide

N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide (PubChem CID 115776313) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide
PubChem CID115776313
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide
SMILESC=CCN(CCO)C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C15H16N2O3/c1-2-7-17(8-9-18)15(20)13-10-14(19)11-5-3-4-6-12(11)16-13/h2-6,10,18H,1,7-9H2,(H,16,19)
InChIKeyUWNCBVBSWWYTJK-UHFFFAOYSA-N
XLogP1.15
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide (CID 115776313) is N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide is C=CCN(CCO)C(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide?
The InChIKey is UWNCBVBSWWYTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-7-17(8-9-18)15(20)13-10-14(19)11-5-3-4-6-12(11)16-13/h2-6,10,18H,1,7-9H2,(H,16,19).
What are the key properties of N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide?
N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-oxo-N-prop-2-enyl-1H-quinoline-2-carboxamide is sourced from PubChem (CID 115776313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).