(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

C22H23N3O2 — CID 23249759

IUPAC(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCc1ccc(C[C@@H]2NC(=O)[C@H](C(C)C)n3c2nc2ccccc2c3=O)cc1
InChIInChI=1S/C22H23N3O2/c1-13(2)19-21(26)24-18(12-15-10-8-14(3)9-11-15)20-23-17-7-5-4-6-16(17)22(27)25(19)20/h4-11,13,18-19H,12H2,1-3H3,(H,24,26)/t18-,19-/m0/s1
InChIKeyJWFXSFKONZFQRJ-OALUTQOASA-N
MW361.44 g/mol
LogP3.32
Rot. Bonds3

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

(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 23249759) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID23249759
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCc1ccc(C[C@@H]2NC(=O)[C@H](C(C)C)n3c2nc2ccccc2c3=O)cc1
InChIInChI=1S/C22H23N3O2/c1-13(2)19-21(26)24-18(12-15-10-8-14(3)9-11-15)20-23-17-7-5-4-6-16(17)22(27)25(19)20/h4-11,13,18-19H,12H2,1-3H3,(H,24,26)/t18-,19-/m0/s1
InChIKeyJWFXSFKONZFQRJ-OALUTQOASA-N
XLogP3.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 134840755
(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
CID 121471369
(1S,4S)-1-hydroxy-4-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 170990373
(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 100927225
(4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 162978378
(1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 98051173
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761
1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 156641715
(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10991635
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione (CID 23249759) is (1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione is Cc1ccc(C[C@@H]2NC(=O)[C@H](C(C)C)n3c2nc2ccccc2c3=O)cc1.
What is the InChIKey of (1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is JWFXSFKONZFQRJ-OALUTQOASA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13(2)19-21(26)24-18(12-15-10-8-14(3)9-11-15)20-23-17-7-5-4-6-16(17)22(27)25(19)20/h4-11,13,18-19H,12H2,1-3H3,(H,24,26)/t18-,19-/m0/s1.
What are the key properties of (1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 361.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 23249759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).