1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide

C21H24N6O3 — CID 167775582

IUPAC1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide
SMILESCN1CCN(C(=O)Cn2ccc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2)CC1
InChIInChI=1S/C21H24N6O3/c1-24-9-11-26(12-10-24)20(29)14-27-8-7-18(23-27)22-21(30)16-13-19(28)25(2)17-6-4-3-5-15(16)17/h3-8,13H,9-12,14H2,1-2H3,(H,22,23,30)
InChIKeyHADPJBHXSLWLNY-UHFFFAOYSA-N
MW408.46 g/mol
LogP0.76
Rot. Bonds4

About 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide (PubChem CID 167775582) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide
PubChem CID167775582
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide
SMILESCN1CCN(C(=O)Cn2ccc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2)CC1
InChIInChI=1S/C21H24N6O3/c1-24-9-11-26(12-10-24)20(29)14-27-8-7-18(23-27)22-21(30)16-13-19(28)25(2)17-6-4-3-5-15(16)17/h3-8,13H,9-12,14H2,1-2H3,(H,22,23,30)
InChIKeyHADPJBHXSLWLNY-UHFFFAOYSA-N
XLogP0.76
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide (CID 167775582) is 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide is CN1CCN(C(=O)Cn2ccc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2)CC1.
What is the InChIKey of 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide?
The InChIKey is HADPJBHXSLWLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-24-9-11-26(12-10-24)20(29)14-27-8-7-18(23-27)22-21(30)16-13-19(28)25(2)17-6-4-3-5-15(16)17/h3-8,13H,9-12,14H2,1-2H3,(H,22,23,30).
What are the key properties of 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 167775582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).