1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione

C25H22N2O5 — CID 163554761

IUPAC1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione
SMILESO=C(CO)c1ccc(Cn2c(=O)n(CCc3ccccc3O)c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H22N2O5/c28-16-23(30)19-11-9-17(10-12-19)15-27-21-7-3-2-6-20(21)24(31)26(25(27)32)14-13-18-5-1-4-8-22(18)29/h1-12,28-29H,13-16H2
InChIKeyFMBXQTSKTOIQMF-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.33
Rot. Bonds7

About 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione

1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione (PubChem CID 163554761) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione
PubChem CID163554761
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione
SMILESO=C(CO)c1ccc(Cn2c(=O)n(CCc3ccccc3O)c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H22N2O5/c28-16-23(30)19-11-9-17(10-12-19)15-27-21-7-3-2-6-20(21)24(31)26(25(27)32)14-13-18-5-1-4-8-22(18)29/h1-12,28-29H,13-16H2
InChIKeyFMBXQTSKTOIQMF-UHFFFAOYSA-N
XLogP2.33
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione with MolForge

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Related Compounds

5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one
CID 58388742
4-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151448807
4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
CID 163775470
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] acetate
CID 150377119
2-[4-[[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 175872732
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
CID 163854867
7-fluoro-3-(2-phenylethyl)-1-[[4-(2-phenylmethoxyacetyl)phenyl]methyl]quinazoline-2,4-dione
CID 163978298
3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione
CID 163967167
N-[(2-chlorophenyl)methyl]-4-[[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429984

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione?
The IUPAC name of 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione (CID 163554761) is 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione is O=C(CO)c1ccc(Cn2c(=O)n(CCc3ccccc3O)c(=O)c3ccccc32)cc1.
What is the InChIKey of 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione?
The InChIKey is FMBXQTSKTOIQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c28-16-23(30)19-11-9-17(10-12-19)15-27-21-7-3-2-6-20(21)24(31)26(25(27)32)14-13-18-5-1-4-8-22(18)29/h1-12,28-29H,13-16H2.
What are the key properties of 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione?
1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione has a molecular weight of 430.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 163554761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).