1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione

C17H16N2O3 — CID 53370489

IUPAC1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccccc2)c(=O)n1CCO
InChIInChI=1S/C17H16N2O3/c20-11-10-18-16(21)14-8-4-5-9-15(14)19(17(18)22)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyFLBJRWYWDOYQQT-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.20
Rot. Bonds4

About 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione

1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione (PubChem CID 53370489) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
PubChem CID53370489
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccccc2)c(=O)n1CCO
InChIInChI=1S/C17H16N2O3/c20-11-10-18-16(21)14-8-4-5-9-15(14)19(17(18)22)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyFLBJRWYWDOYQQT-UHFFFAOYSA-N
XLogP1.20
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
(2S)-2-amino-3-(3-benzyl-2,4-dioxoquinazolin-1-yl)propanoic acid
CID 25130239
1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione
CID 163554761
3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] acetate
CID 150377119
3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 53368485
2-[4-[[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 175872732
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] 2-amino-3-methylbutanoate
CID 154629217

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione?
The IUPAC name of 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione (CID 53370489) is 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione?
The canonical SMILES for 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1CCO.
What is the InChIKey of 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione?
The InChIKey is FLBJRWYWDOYQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-11-10-18-16(21)14-8-4-5-9-15(14)19(17(18)22)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2.
What are the key properties of 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione?
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione is sourced from PubChem (CID 53370489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).