4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide

C20H18N2O3 — CID 54683784

IUPAC4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21
InChIInChI=1S/C20H18N2O3/c1-3-12-22-16-11-7-5-9-14(16)18(23)17(20(22)25)19(24)21-15-10-6-4-8-13(15)2/h3-11,23H,1,12H2,2H3,(H,21,24)
InChIKeyDBCRYXNHAAOSIN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.45
Rot. Bonds4

About 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide

4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54683784) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54683784
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21
InChIInChI=1S/C20H18N2O3/c1-3-12-22-16-11-7-5-9-14(16)18(23)17(20(22)25)19(24)21-15-10-6-4-8-13(15)2/h3-11,23H,1,12H2,2H3,(H,21,24)
InChIKeyDBCRYXNHAAOSIN-UHFFFAOYSA-N
XLogP3.45
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54683784) is 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is DBCRYXNHAAOSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-12-22-16-11-7-5-9-14(16)18(23)17(20(22)25)19(24)21-15-10-6-4-8-13(15)2/h3-11,23H,1,12H2,2H3,(H,21,24).
What are the key properties of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54683784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).