4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide

C20H20N2O4 — CID 54677084

IUPAC4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C20H20N2O4/c1-3-12-26-14-10-8-13(9-11-14)21-19(24)17-18(23)15-6-4-5-7-16(15)22(2)20(17)25/h4-11,23H,3,12H2,1-2H3,(H,21,24)
InChIKeyCPIMUFQBUSJUKO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.29
Rot. Bonds5

About 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide

4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide (PubChem CID 54677084) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
PubChem CID54677084
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C20H20N2O4/c1-3-12-26-14-10-8-13(9-11-14)21-19(24)17-18(23)15-6-4-5-7-16(15)22(2)20(17)25/h4-11,23H,3,12H2,1-2H3,(H,21,24)
InChIKeyCPIMUFQBUSJUKO-UHFFFAOYSA-N
XLogP3.29
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
[4-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]phenyl] 2,2-dimethylpropanoate
CID 54717945
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54683102
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54679619
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide (CID 54677084) is 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide is CCCOc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide?
The InChIKey is CPIMUFQBUSJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-12-26-14-10-8-13(9-11-14)21-19(24)17-18(23)15-6-4-5-7-16(15)22(2)20(17)25/h4-11,23H,3,12H2,1-2H3,(H,21,24).
What are the key properties of 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide?
4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 54677084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).