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

C23H25N3O2 — CID 101162946

IUPAC(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)[C@H]1c2nc3ccccc3c(=O)n2C(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H25N3O2/c1-15(2)19-20-24-18-13-9-8-12-17(18)21(27)26(20)23(3,4)22(28)25(19)14-16-10-6-5-7-11-16/h5-13,15,19H,14H2,1-4H3/t19-/m0/s1
InChIKeyJGDCYFSOXPBEPA-IBGZPJMESA-N
MW375.47 g/mol
LogP3.87
Rot. Bonds3

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

(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 101162946) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID101162946
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)[C@H]1c2nc3ccccc3c(=O)n2C(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H25N3O2/c1-15(2)19-20-24-18-13-9-8-12-17(18)21(27)26(20)23(3,4)22(28)25(19)14-16-10-6-5-7-11-16/h5-13,15,19H,14H2,1-4H3/t19-/m0/s1
InChIKeyJGDCYFSOXPBEPA-IBGZPJMESA-N
XLogP3.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione with MolForge

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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
(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10991635
(1R,4S)-2-benzyl-4-methyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10498676
3-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249759
(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 134840755
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
3-benzyl-2,5,5-trimethylimidazolidin-4-one
CID 83706003
(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one
CID 21097004

Frequently Asked Questions

What is the IUPAC name of (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione (CID 101162946) is (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione is CC(C)[C@H]1c2nc3ccccc3c(=O)n2C(C)(C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is JGDCYFSOXPBEPA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)19-20-24-18-13-9-8-12-17(18)21(27)26(20)23(3,4)22(28)25(19)14-16-10-6-5-7-11-16/h5-13,15,19H,14H2,1-4H3/t19-/m0/s1.
What are the key properties of (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 375.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 101162946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).