1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one

C19H16N4O — CID 16730828

IUPAC1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2ccccc2)c(=O)n1C
InChIInChI=1S/C19H16N4O/c1-22-18(14-8-9-15-16(12-14)21-11-10-20-15)17(19(24)23(22)2)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyQHPAWWVPNKWGDX-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.00
Rot. Bonds2

About 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one

1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one (PubChem CID 16730828) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one.

Molecular Properties

Compound Name1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one
PubChem CID16730828
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2ccccc2)c(=O)n1C
InChIInChI=1S/C19H16N4O/c1-22-18(14-8-9-15-16(12-14)21-11-10-20-15)17(19(24)23(22)2)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyQHPAWWVPNKWGDX-UHFFFAOYSA-N
XLogP3.00
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one?
The IUPAC name of 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one (CID 16730828) is 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one.
What is the SMILES notation for 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one?
The canonical SMILES for 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one is Cn1c(-c2ccc3nccnc3c2)c(-c2ccccc2)c(=O)n1C.
What is the InChIKey of 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one?
The InChIKey is QHPAWWVPNKWGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-22-18(14-8-9-15-16(12-14)21-11-10-20-15)17(19(24)23(22)2)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one?
1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one has a molecular weight of 316.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-phenyl-5-quinoxalin-6-ylpyrazol-3-one is sourced from PubChem (CID 16730828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).