4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one

C14H14N4O2 — CID 42138644

IUPAC4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCn1ccc(C(=O)N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C14H14N4O2/c1-2-17-8-7-11(16-17)14(20)18-9-13(19)15-10-5-3-4-6-12(10)18/h3-8H,2,9H2,1H3,(H,15,19)
InChIKeyPRKSOYDWVXRREO-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.50
Rot. Bonds2

About 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 42138644) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID42138644
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCn1ccc(C(=O)N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C14H14N4O2/c1-2-17-8-7-11(16-17)14(20)18-9-13(19)15-10-5-3-4-6-12(10)18/h3-8H,2,9H2,1H3,(H,15,19)
InChIKeyPRKSOYDWVXRREO-UHFFFAOYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 42138644) is 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one is CCn1ccc(C(=O)N2CC(=O)Nc3ccccc32)n1.
What is the InChIKey of 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is PRKSOYDWVXRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-17-8-7-11(16-17)14(20)18-9-13(19)15-10-5-3-4-6-12(10)18/h3-8H,2,9H2,1H3,(H,15,19).
What are the key properties of 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 270.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 42138644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).