5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one

C17H16N2O4 — CID 11493338

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one
SMILESCCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C17H16N2O4/c1-2-3-15-18-13-8-12(21)9-14(22)16(13)17(23)19(15)10-4-6-11(20)7-5-10/h4-9,20-22H,2-3H2,1H3
InChIKeyWNOZSZJZMSQWHO-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.45
Rot. Bonds3

About 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one

5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one (PubChem CID 11493338) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one
PubChem CID11493338
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one
SMILESCCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C17H16N2O4/c1-2-3-15-18-13-8-12(21)9-14(22)16(13)17(23)19(15)10-4-6-11(20)7-5-10/h4-9,20-22H,2-3H2,1H3
InChIKeyWNOZSZJZMSQWHO-UHFFFAOYSA-N
XLogP2.45
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one (CID 11493338) is 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one is CCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one?
The InChIKey is WNOZSZJZMSQWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-3-15-18-13-8-12(21)9-14(22)16(13)17(23)19(15)10-4-6-11(20)7-5-10/h4-9,20-22H,2-3H2,1H3.
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one?
5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one has a molecular weight of 312.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-propylquinazolin-4-one is sourced from PubChem (CID 11493338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).