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

C28H25N3O5 — CID 102116155

IUPAC(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCOc1ccc(CN2C(=O)[C@H](C)n3c(nc4ccccc4c3=O)[C@@H]2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H25N3O5/c1-17-27(33)30(16-18-8-12-20(35-2)13-9-18)24(25(32)19-10-14-21(36-3)15-11-19)26-29-23-7-5-4-6-22(23)28(34)31(17)26/h4-15,17,24H,16H2,1-3H3/t17-,24-/m0/s1
InChIKeyOAPHRJYBAFRHBV-XDHUDOTRSA-N
MW483.52 g/mol
LogP3.94
Rot. Bonds6

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

(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 102116155) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID102116155
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC Name(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCOc1ccc(CN2C(=O)[C@H](C)n3c(nc4ccccc4c3=O)[C@@H]2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H25N3O5/c1-17-27(33)30(16-18-8-12-20(35-2)13-9-18)24(25(32)19-10-14-21(36-3)15-11-19)26-29-23-7-5-4-6-22(23)28(34)31(17)26/h4-15,17,24H,16H2,1-3H3/t17-,24-/m0/s1
InChIKeyOAPHRJYBAFRHBV-XDHUDOTRSA-N
XLogP3.94
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[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

(1R,4S)-2-benzyl-4-methyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10498676
(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10992108
2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 92667085
(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one
CID 100923623
2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 15836279
(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 100927225
(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-naphthalen-1-ylimidazolidine-2,4-dione
CID 101259426
3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 71593748
4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one
CID 134936672
(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
[5-benzoyloxy-9,11-bis[(4-methoxyphenyl)methyl]-10,12-dioxo-9,11-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-4-yl] benzoate
CID 23257079
(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (CID 102116155) is (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is COc1ccc(CN2C(=O)[C@H](C)n3c(nc4ccccc4c3=O)[C@@H]2C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is OAPHRJYBAFRHBV-XDHUDOTRSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-17-27(33)30(16-18-8-12-20(35-2)13-9-18)24(25(32)19-10-14-21(36-3)15-11-19)26-29-23-7-5-4-6-22(23)28(34)31(17)26/h4-15,17,24H,16H2,1-3H3/t17-,24-/m0/s1.
What are the key properties of (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 483.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 102116155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).