3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide

C20H20N2O3 — CID 16745864

IUPAC3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(C)cc3)[nH]c2c1
InChIInChI=1S/C20H20N2O3/c1-3-10-21-20(25)14-8-9-15-16(11-14)22-17(19(24)18(15)23)13-6-4-12(2)5-7-13/h4-9,11,24H,3,10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyXXPMVUNCOJGLHG-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.35
Rot. Bonds4

About 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide

3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide (PubChem CID 16745864) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide
PubChem CID16745864
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(C)cc3)[nH]c2c1
InChIInChI=1S/C20H20N2O3/c1-3-10-21-20(25)14-8-9-15-16(11-14)22-17(19(24)18(15)23)13-6-4-12(2)5-7-13/h4-9,11,24H,3,10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyXXPMVUNCOJGLHG-UHFFFAOYSA-N
XLogP3.35
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
The IUPAC name of 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide (CID 16745864) is 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide.
What is the SMILES notation for 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
The canonical SMILES for 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide is CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(C)cc3)[nH]c2c1.
What is the InChIKey of 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
The InChIKey is XXPMVUNCOJGLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-10-21-20(25)14-8-9-15-16(11-14)22-17(19(24)18(15)23)13-6-4-12(2)5-7-13/h4-9,11,24H,3,10H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide is sourced from PubChem (CID 16745864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).