3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide

C14H14N2O3 — CID 54720074

IUPAC3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide
SMILESC=CCNC(=O)c1c(O)c(=O)c2ccccc2n1C
InChIInChI=1S/C14H14N2O3/c1-3-8-15-14(19)11-13(18)12(17)9-6-4-5-7-10(9)16(11)2/h3-7,18H,1,8H2,2H3,(H,15,19)
InChIKeyCUNWXZRXJPZDRD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.16
Rot. Bonds3

About 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide

3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide (PubChem CID 54720074) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide
PubChem CID54720074
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide
SMILESC=CCNC(=O)c1c(O)c(=O)c2ccccc2n1C
InChIInChI=1S/C14H14N2O3/c1-3-8-15-14(19)11-13(18)12(17)9-6-4-5-7-10(9)16(11)2/h3-7,18H,1,8H2,2H3,(H,15,19)
InChIKeyCUNWXZRXJPZDRD-UHFFFAOYSA-N
XLogP1.16
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Heptyl-3-hydroxy-4-quinolone
CID 2763159
3-Hydroxy-2-methyl-1,4-dihydroquinolin-4-one
CID 440982
2-(2,8-dimethyl-4-oxoquinolin-1(4H)-yl)-N-methylacetamide
CID 931019
3-hydroxy-1,2-dimethylquinolin-4(1H)-one
CID 9549928
N-acetylisatic acid
CID 1714907
2-methyl-3-hydroxy-4(1H)-quinolinone-7-carboxylic acid N-propylamide
CID 16745855
2-(4-methyl-phenyl)-3-hydroxy-4(1H)-quinolinone-7-carboxylic acid N-(4-methylbenzyl)-amide
CID 16745860
2-(4-fluorophenyl)-3-hydroxy-4-keto-N-propyl-1H-quinoline-7-carboxamide
CID 16745874
2-(2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetamide
CID 947985
2-(4-fluorophenyl)-3-hydroxy-1H-quinolin-4-one
CID 35538051
Quinoline-3,4-diol
CID 440981
3-Hydroxyquinolones
CID 10682175

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide (CID 54720074) is 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide is C=CCNC(=O)c1c(O)c(=O)c2ccccc2n1C.
What is the InChIKey of 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide?
The InChIKey is CUNWXZRXJPZDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-8-15-14(19)11-13(18)12(17)9-6-4-5-7-10(9)16(11)2/h3-7,18H,1,8H2,2H3,(H,15,19).
What are the key properties of 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide?
3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-4-oxo-N-prop-2-enylquinoline-2-carboxamide is sourced from PubChem (CID 54720074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).