(1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione

C21H19N3O2 — CID 23249763

IUPAC(1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESC=CC[C@H]1c2nc3ccccc3c(=O)n2[C@@H](C)C(=O)N1c1ccccc1
InChIInChI=1S/C21H19N3O2/c1-3-9-18-19-22-17-13-8-7-12-16(17)21(26)23(19)14(2)20(25)24(18)15-10-5-4-6-11-15/h3-8,10-14,18H,1,9H2,2H3/t14-,18-/m0/s1
InChIKeyQOJBZPGNTOXNGH-KSSFIOAISA-N
MW345.40 g/mol
LogP3.62
Rot. Bonds3

About (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione

(1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 23249763) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID23249763
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESC=CC[C@H]1c2nc3ccccc3c(=O)n2[C@@H](C)C(=O)N1c1ccccc1
InChIInChI=1S/C21H19N3O2/c1-3-9-18-19-22-17-13-8-7-12-16(17)21(26)23(19)14(2)20(25)24(18)15-10-5-4-6-11-15/h3-8,10-14,18H,1,9H2,2H3/t14-,18-/m0/s1
InChIKeyQOJBZPGNTOXNGH-KSSFIOAISA-N
XLogP3.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,4S)-2-benzyl-4-methyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10498676
2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 15836279
(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761
(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10992108
4-[2-hydroxy-2-(5-oxo-1-phenyl-4-propan-2-ylimidazolidin-2-yl)propyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 163027497
(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 102116155
(2S,13S)-5,6-dimethoxy-13-methyl-11,14,22-triazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3,5,7,16,18,20-heptaene-12,15-dione
CID 101130263
3-(2-prop-2-enylaziridin-1-yl)-2-(trifluoromethyl)quinazolin-4-one
CID 23247551
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 134840755
(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one
CID 100923623

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (CID 23249763) is (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is C=CC[C@H]1c2nc3ccccc3c(=O)n2[C@@H](C)C(=O)N1c1ccccc1.
What is the InChIKey of (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is QOJBZPGNTOXNGH-KSSFIOAISA-N. The full InChI is InChI=1S/C21H19N3O2/c1-3-9-18-19-22-17-13-8-7-12-16(17)21(26)23(19)14(2)20(25)24(18)15-10-5-4-6-11-15/h3-8,10-14,18H,1,9H2,2H3/t14-,18-/m0/s1.
What are the key properties of (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
(1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 345.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 23249763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).