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

C32H29N3O2 — CID 100927225

IUPAC(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)[C@H]1C(=O)N(Cc2ccccc2)[C@H](Cc2ccc3ccccc3c2)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C32H29N3O2/c1-21(2)29-32(37)34(20-22-10-4-3-5-11-22)28(19-23-16-17-24-12-6-7-13-25(24)18-23)30-33-27-15-9-8-14-26(27)31(36)35(29)30/h3-18,21,28-29H,19-20H2,1-2H3/t28-,29+/m1/s1
InChIKeyKYLZPZACOUWBDI-WDYNHAJCSA-N
MW487.60 g/mol
LogP6.07
Rot. Bonds5

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

(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 100927225) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is (1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID100927225
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)[C@H]1C(=O)N(Cc2ccccc2)[C@H](Cc2ccc3ccccc3c2)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C32H29N3O2/c1-21(2)29-32(37)34(20-22-10-4-3-5-11-22)28(19-23-16-17-24-12-6-7-13-25(24)18-23)30-33-27-15-9-8-14-26(27)31(36)35(29)30/h3-18,21,28-29H,19-20H2,1-2H3/t28-,29+/m1/s1
InChIKeyKYLZPZACOUWBDI-WDYNHAJCSA-N
XLogP6.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,4S)-2-benzyl-4-methyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10498676
(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10991635
(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 101162946
(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-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249759
(3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one
CID 69303892
(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 102116155
(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 142628164
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 118546703
(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 134840755
(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10992108

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (CID 100927225) is (1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is CC(C)[C@H]1C(=O)N(Cc2ccccc2)[C@H](Cc2ccc3ccccc3c2)c2nc3ccccc3c(=O)n21.
What is the InChIKey of (1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is KYLZPZACOUWBDI-WDYNHAJCSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-21(2)29-32(37)34(20-22-10-4-3-5-11-22)28(19-23-16-17-24-12-6-7-13-25(24)18-23)30-33-27-15-9-8-14-26(27)31(36)35(29)30/h3-18,21,28-29H,19-20H2,1-2H3/t28-,29+/m1/s1.
What are the key properties of (1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 487.60 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 100927225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).