(4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione

C19H15N3O4 — CID 164620180

IUPAC(4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione
SMILESCN1C(=O)c2nc3ccccc3c(=O)n2[C@H](Cc2ccccc2O)C1=O
InChIInChI=1S/C19H15N3O4/c1-21-18(25)14(10-11-6-2-5-9-15(11)23)22-16(19(21)26)20-13-8-4-3-7-12(13)17(22)24/h2-9,14,23H,10H2,1H3/t14-/m1/s1
InChIKeyHXQLNVLJMJWBDA-CQSZACIVSA-N
MW349.35 g/mol
LogP1.50
Rot. Bonds2

About (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione

(4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione (PubChem CID 164620180) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione.

Molecular Properties

Compound Name(4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione
PubChem CID164620180
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name(4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione
SMILESCN1C(=O)c2nc3ccccc3c(=O)n2[C@H](Cc2ccccc2O)C1=O
InChIInChI=1S/C19H15N3O4/c1-21-18(25)14(10-11-6-2-5-9-15(11)23)22-16(19(21)26)20-13-8-4-3-7-12(13)17(22)24/h2-9,14,23H,10H2,1H3/t14-/m1/s1
InChIKeyHXQLNVLJMJWBDA-CQSZACIVSA-N
XLogP1.50
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione?
The IUPAC name of (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione (CID 164620180) is (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione.
What is the SMILES notation for (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione?
The canonical SMILES for (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione is CN1C(=O)c2nc3ccccc3c(=O)n2[C@H](Cc2ccccc2O)C1=O.
What is the InChIKey of (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione?
The InChIKey is HXQLNVLJMJWBDA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-21-18(25)14(10-11-6-2-5-9-15(11)23)22-16(19(21)26)20-13-8-4-3-7-12(13)17(22)24/h2-9,14,23H,10H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione?
(4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione has a molecular weight of 349.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-hydroxyphenyl)methyl]-2-methyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione is sourced from PubChem (CID 164620180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).