(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione

C21H21N3O2 — CID 10991635

IUPAC(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)[C@H]1C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)n21
InChIInChI=1S/C21H21N3O2/c1-14(2)19-21(26)23(12-15-8-4-3-5-9-15)13-18-22-17-11-7-6-10-16(17)20(25)24(18)19/h3-11,14,19H,12-13H2,1-2H3/t19-/m0/s1
InChIKeyMJGCJGGVJKYWED-IBGZPJMESA-N
MW347.42 g/mol
LogP3.14
Rot. Bonds3

About (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione

(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 10991635) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID10991635
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)[C@H]1C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)n21
InChIInChI=1S/C21H21N3O2/c1-14(2)19-21(26)23(12-15-8-4-3-5-9-15)13-18-22-17-11-7-6-10-16(17)20(25)24(18)19/h3-11,14,19H,12-13H2,1-2H3/t19-/m0/s1
InChIKeyMJGCJGGVJKYWED-IBGZPJMESA-N
XLogP3.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 100927225
(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 101162946
(5S)-7-benzyl-5-methyl-3-(2-phenylethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163314441
(5S)-3-(2-aminoethyl)-7-benzyl-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164700140
3-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride
CID 22674529
(1R,4S)-2-benzyl-4-methyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10498676
(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249759
(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761
(5R)-7-benzyl-3-(2-chlorophenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163308715
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
CID 62409793

Frequently Asked Questions

What is the IUPAC name of (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (CID 10991635) is (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is CC(C)[C@H]1C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)n21.
What is the InChIKey of (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is MJGCJGGVJKYWED-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14(2)19-21(26)23(12-15-8-4-3-5-9-15)13-18-22-17-11-7-6-10-16(17)20(25)24(18)19/h3-11,14,19H,12-13H2,1-2H3/t19-/m0/s1.
What are the key properties of (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 347.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 10991635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).