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

C22H20N4O4 — CID 54696048

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCc1c(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H20N4O4/c1-13-18(22(30)26(25(13)3)14-9-5-4-6-10-14)23-20(28)17-19(27)15-11-7-8-12-16(15)24(2)21(17)29/h4-12,27H,1-3H3,(H,23,28)
InChIKeyGEMWSXFTRYSRPL-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.29
Rot. Bonds3

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54696048) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54696048
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCc1c(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H20N4O4/c1-13-18(22(30)26(25(13)3)14-9-5-4-6-10-14)23-20(28)17-19(27)15-11-7-8-12-16(15)24(2)21(17)29/h4-12,27H,1-3H3,(H,23,28)
InChIKeyGEMWSXFTRYSRPL-UHFFFAOYSA-N
XLogP2.29
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (CID 54696048) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide is Cc1c(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is GEMWSXFTRYSRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-13-18(22(30)26(25(13)3)14-9-5-4-6-10-14)23-20(28)17-19(27)15-11-7-8-12-16(15)24(2)21(17)29/h4-12,27H,1-3H3,(H,23,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.29, 3 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-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54696048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).