N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

C24H24N4O4 — CID 54677432

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21
InChIInChI=1S/C24H24N4O4/c1-4-14-27-18-13-9-8-12-17(18)21(29)19(23(27)31)22(30)25-20-15(2)26(3)28(24(20)32)16-10-6-5-7-11-16/h5-13,29H,4,14H2,1-3H3,(H,25,30)
InChIKeyRMNREUCLOBZXQL-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.17
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 54677432) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID54677432
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21
InChIInChI=1S/C24H24N4O4/c1-4-14-27-18-13-9-8-12-17(18)21(29)19(23(27)31)22(30)25-20-15(2)26(3)28(24(20)32)16-10-6-5-7-11-16/h5-13,29H,4,14H2,1-3H3,(H,25,30)
InChIKeyRMNREUCLOBZXQL-UHFFFAOYSA-N
XLogP3.17
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Roquinimex
CID 54676478
Paquinimod
CID 54684617
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide
CID 54681514
4-[(2-hydroxybenzyl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 3595244
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide
CID 54679949

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (CID 54677432) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is RMNREUCLOBZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-14-27-18-13-9-8-12-17(18)21(29)19(23(27)31)22(30)25-20-15(2)26(3)28(24(20)32)16-10-6-5-7-11-16/h5-13,29H,4,14H2,1-3H3,(H,25,30).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54677432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).