(1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one

C16H19N3O2 — CID 16681423

IUPAC(1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one
SMILESCCOC1=N[C@@H](C(C)C)c2nc3ccccc3c(=O)n2C1
InChIInChI=1S/C16H19N3O2/c1-4-21-13-9-19-15(14(18-13)10(2)3)17-12-8-6-5-7-11(12)16(19)20/h5-8,10,14H,4,9H2,1-3H3/t14-/m0/s1
InChIKeyHXYMBFXMCCDTOL-AWEZNQCLSA-N
MW285.35 g/mol
LogP2.54
Rot. Bonds2

About (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one

(1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one (PubChem CID 16681423) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name(1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one
PubChem CID16681423
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one
SMILESCCOC1=N[C@@H](C(C)C)c2nc3ccccc3c(=O)n2C1
InChIInChI=1S/C16H19N3O2/c1-4-21-13-9-19-15(14(18-13)10(2)3)17-12-8-6-5-7-11(12)16(19)20/h5-8,10,14H,4,9H2,1-3H3/t14-/m0/s1
InChIKeyHXYMBFXMCCDTOL-AWEZNQCLSA-N
XLogP2.54
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 156641715
2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 15836279
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
6-benzyl-6,11-dihydroisoquinolino[3,2-b]quinazolin-13-one
CID 4063388
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 776133
6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 22048047
2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
CID 58601638
9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde
CID 13171281
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide
CID 650215
3-(4-ethoxyphenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one
CID 769872
2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
CID 71652489

Frequently Asked Questions

What is the IUPAC name of (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one?
The IUPAC name of (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one (CID 16681423) is (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one.
What is the SMILES notation for (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one?
The canonical SMILES for (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one is CCOC1=N[C@@H](C(C)C)c2nc3ccccc3c(=O)n2C1.
What is the InChIKey of (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one?
The InChIKey is HXYMBFXMCCDTOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-21-13-9-19-15(14(18-13)10(2)3)17-12-8-6-5-7-11(12)16(19)20/h5-8,10,14H,4,9H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one?
(1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one has a molecular weight of 285.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-ethoxy-1-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazolin-6-one is sourced from PubChem (CID 16681423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).