3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one

C18H15N5O — CID 2425419

IUPAC3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one
SMILESCc1cc(Nc2nc3ccccc3[nH]c2=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H15N5O/c1-12-11-16(23(22-12)13-7-3-2-4-8-13)21-17-18(24)20-15-10-6-5-9-14(15)19-17/h2-11H,1H3,(H,19,21)(H,20,24)
InChIKeyNRWADAPEQHAWLP-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.16
Rot. Bonds3

About 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one

3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one (PubChem CID 2425419) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one
PubChem CID2425419
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one
SMILESCc1cc(Nc2nc3ccccc3[nH]c2=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H15N5O/c1-12-11-16(23(22-12)13-7-3-2-4-8-13)21-17-18(24)20-15-10-6-5-9-14(15)19-17/h2-11H,1H3,(H,19,21)(H,20,24)
InChIKeyNRWADAPEQHAWLP-UHFFFAOYSA-N
XLogP3.16
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one (CID 2425419) is 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one is Cc1cc(Nc2nc3ccccc3[nH]c2=O)n(-c2ccccc2)n1.
What is the InChIKey of 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one?
The InChIKey is NRWADAPEQHAWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-11-16(23(22-12)13-7-3-2-4-8-13)21-17-18(24)20-15-10-6-5-9-14(15)19-17/h2-11H,1H3,(H,19,21)(H,20,24).
What are the key properties of 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one?
3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one has a molecular weight of 317.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1H-quinoxalin-2-one is sourced from PubChem (CID 2425419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).