(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione

C21H21N3O3 — CID 10992108

IUPAC(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCO[C@H]1c2nc3ccccc3c(=O)n2[C@H](C)C(=O)N1CCc1ccccc1
InChIInChI=1S/C21H21N3O3/c1-14-19(25)23(13-12-15-8-4-3-5-9-15)21(27-2)18-22-17-11-7-6-10-16(17)20(26)24(14)18/h3-11,14,21H,12-13H2,1-2H3/t14-,21+/m1/s1
InChIKeyQIEINHHGUXVACV-SZNDQCEHSA-N
MW363.42 g/mol
LogP2.69
Rot. Bonds4

About (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione

(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 10992108) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID10992108
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCO[C@H]1c2nc3ccccc3c(=O)n2[C@H](C)C(=O)N1CCc1ccccc1
InChIInChI=1S/C21H21N3O3/c1-14-19(25)23(13-12-15-8-4-3-5-9-15)21(27-2)18-22-17-11-7-6-10-16(17)20(26)24(14)18/h3-11,14,21H,12-13H2,1-2H3/t14-,21+/m1/s1
InChIKeyQIEINHHGUXVACV-SZNDQCEHSA-N
XLogP2.69
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 102116155
(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761
2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 15836279
(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one
CID 100923623
(1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249763
(3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
CID 28685808
(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
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 100927225
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (CID 10992108) is (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is CO[C@H]1c2nc3ccccc3c(=O)n2[C@H](C)C(=O)N1CCc1ccccc1.
What is the InChIKey of (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is QIEINHHGUXVACV-SZNDQCEHSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-19(25)23(13-12-15-8-4-3-5-9-15)21(27-2)18-22-17-11-7-6-10-16(17)20(26)24(14)18/h3-11,14,21H,12-13H2,1-2H3/t14-,21+/m1/s1.
What are the key properties of (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 363.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 10992108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).