4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide

C19H16N6O2 — CID 11337343

IUPAC4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)Nc3ccn[nH]3)cc2)nc2ccccc21
InChIInChI=1S/C19H16N6O2/c1-25-15-5-3-2-4-14(15)22-17(19(25)27)21-13-8-6-12(7-9-13)18(26)23-16-10-11-20-24-16/h2-11H,1H3,(H,21,22)(H2,20,23,24,26)
InChIKeyZLMCYVPSWUZPNR-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.65
Rot. Bonds4

About 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide

4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 11337343) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID11337343
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)Nc3ccn[nH]3)cc2)nc2ccccc21
InChIInChI=1S/C19H16N6O2/c1-25-15-5-3-2-4-14(15)22-17(19(25)27)21-13-8-6-12(7-9-13)18(26)23-16-10-11-20-24-16/h2-11H,1H3,(H,21,22)(H2,20,23,24,26)
InChIKeyZLMCYVPSWUZPNR-UHFFFAOYSA-N
XLogP2.65
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide (CID 11337343) is 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide is Cn1c(=O)c(Nc2ccc(C(=O)Nc3ccn[nH]3)cc2)nc2ccccc21.
What is the InChIKey of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is ZLMCYVPSWUZPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-25-15-5-3-2-4-14(15)22-17(19(25)27)21-13-8-6-12(7-9-13)18(26)23-16-10-11-20-24-16/h2-11H,1H3,(H,21,22)(H2,20,23,24,26).
What are the key properties of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide?
4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 360.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 11337343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).