3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C19H20N4O3 — CID 56620121

IUPAC3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(C(CC(=O)C3CC3)N=O)ncn2c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-11(2)23-15-6-4-3-5-14(15)22-10-20-17(18(22)19(23)25)13(21-26)9-16(24)12-7-8-12/h3-6,10-13H,7-9H2,1-2H3
InChIKeyBRQXDQSWWRSXQI-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.41
Rot. Bonds6

About 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 56620121) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID56620121
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(C(CC(=O)C3CC3)N=O)ncn2c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-11(2)23-15-6-4-3-5-14(15)22-10-20-17(18(22)19(23)25)13(21-26)9-16(24)12-7-8-12/h3-6,10-13H,7-9H2,1-2H3
InChIKeyBRQXDQSWWRSXQI-UHFFFAOYSA-N
XLogP3.41
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 56620121) is 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is CC(C)n1c(=O)c2c(C(CC(=O)C3CC3)N=O)ncn2c2ccccc21.
What is the InChIKey of 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is BRQXDQSWWRSXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11(2)23-15-6-4-3-5-14(15)22-10-20-17(18(22)19(23)25)13(21-26)9-16(24)12-7-8-12/h3-6,10-13H,7-9H2,1-2H3.
What are the key properties of 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 352.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1-nitroso-3-oxopropyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 56620121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).