N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

C20H20N2O3 — CID 54682450

IUPACN-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-2-12-22-16-11-7-6-10-15(16)18(23)17(20(22)25)19(24)21-13-14-8-4-3-5-9-14/h3-11,23H,2,12-13H2,1H3,(H,21,24)
InChIKeyPMQHJARMPQEMPC-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.05
Rot. Bonds5

About N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 54682450) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID54682450
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-2-12-22-16-11-7-6-10-15(16)18(23)17(20(22)25)19(24)21-13-14-8-4-3-5-9-14/h3-11,23H,2,12-13H2,1H3,(H,21,24)
InChIKeyPMQHJARMPQEMPC-UHFFFAOYSA-N
XLogP3.05
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Laquinimod
CID 54677946
Roquinimex
CID 54676478
2,4-Dihydroxyquinoline
CID 54680871
Paquinimod
CID 54684617
4-Hydroxy-N-methylcarbostyril
CID 54686436
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
Desidustat
CID 75593290
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
Zanthobisquinolone
CID 54688597
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (CID 54682450) is N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c2ccccc21.
What is the InChIKey of N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is PMQHJARMPQEMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-12-22-16-11-7-6-10-15(16)18(23)17(20(22)25)19(24)21-13-14-8-4-3-5-9-14/h3-11,23H,2,12-13H2,1H3,(H,21,24).
What are the key properties of N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54682450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).