3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one

C17H16N2O3 — CID 58896663

IUPAC3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one
SMILESCCOc1cc2ncn(Cc3ccccc3)c(=O)c2cc1O
InChIInChI=1S/C17H16N2O3/c1-2-22-16-9-14-13(8-15(16)20)17(21)19(11-18-14)10-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3
InChIKeyKMEHVGMFBYYPNA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.55
Rot. Bonds4

About 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one

3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one (PubChem CID 58896663) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one
PubChem CID58896663
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one
SMILESCCOc1cc2ncn(Cc3ccccc3)c(=O)c2cc1O
InChIInChI=1S/C17H16N2O3/c1-2-22-16-9-14-13(8-15(16)20)17(21)19(11-18-14)10-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3
InChIKeyKMEHVGMFBYYPNA-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one?
The IUPAC name of 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one (CID 58896663) is 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one.
What is the SMILES notation for 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one?
The canonical SMILES for 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one is CCOc1cc2ncn(Cc3ccccc3)c(=O)c2cc1O.
What is the InChIKey of 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one?
The InChIKey is KMEHVGMFBYYPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-22-16-9-14-13(8-15(16)20)17(21)19(11-18-14)10-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3.
What are the key properties of 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one?
3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one has a molecular weight of 296.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one is sourced from PubChem (CID 58896663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).