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

C27H31N5O4 — CID 163027497

IUPAC4-[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
SMILESCC1NC(=O)C(CC(C)(O)C2NC(C(C)C)C(=O)N2c2ccccc2)n2c1nc1ccccc1c2=O
InChIInChI=1S/C27H31N5O4/c1-15(2)21-25(35)31(17-10-6-5-7-11-17)26(30-21)27(4,36)14-20-23(33)28-16(3)22-29-19-13-9-8-12-18(19)24(34)32(20)22/h5-13,15-16,20-21,26,30,36H,14H2,1-4H3,(H,28,33)
InChIKeyPZCYVUJYVOAEFM-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.26
Rot. Bonds5

About 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

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 (PubChem CID 163027497) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID163027497
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name4-[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
SMILESCC1NC(=O)C(CC(C)(O)C2NC(C(C)C)C(=O)N2c2ccccc2)n2c1nc1ccccc1c2=O
InChIInChI=1S/C27H31N5O4/c1-15(2)21-25(35)31(17-10-6-5-7-11-17)26(30-21)27(4,36)14-20-23(33)28-16(3)22-29-19-13-9-8-12-18(19)24(34)32(20)22/h5-13,15-16,20-21,26,30,36H,14H2,1-4H3,(H,28,33)
InChIKeyPZCYVUJYVOAEFM-UHFFFAOYSA-N
XLogP2.26
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249763
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
(1S,4S)-1-hydroxy-4-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 170990373
3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958754
2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 15836279
(1S,4R)-1-deuterio-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10247877
(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
(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
(1R,2'S,3'aR,12R,14R)-2'-butan-2-yl-12-methylspiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione
CID 156581721
methyl (1S,12S,13R,17R)-3,14,16-trioxo-15-phenyl-2,10,15-triazapentacyclo[10.5.2.02,11.04,9.013,17]nonadeca-4,6,8,10,18-pentaene-18-carboxylate
CID 10477606

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1NC(=O)C(CC(C)(O)C2NC(C(C)C)C(=O)N2c2ccccc2)n2c1nc1ccccc1c2=O.
What is the InChIKey of 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?
The InChIKey is PZCYVUJYVOAEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-15(2)21-25(35)31(17-10-6-5-7-11-17)26(30-21)27(4,36)14-20-23(33)28-16(3)22-29-19-13-9-8-12-18(19)24(34)32(20)22/h5-13,15-16,20-21,26,30,36H,14H2,1-4H3,(H,28,33).
What are the key properties of 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?
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 has a molecular weight of 489.58 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163027497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).