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

C16H14N2O4 — CID 11666535

IUPAC2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C16H14N2O4/c1-2-14-17-12-7-11(20)8-13(21)15(12)16(22)18(14)9-3-5-10(19)6-4-9/h3-8,19-21H,2H2,1H3
InChIKeyXPIOXZHGLYQLNZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.06
Rot. Bonds2

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

2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 11666535) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID11666535
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C16H14N2O4/c1-2-14-17-12-7-11(20)8-13(21)15(12)16(22)18(14)9-3-5-10(19)6-4-9/h3-8,19-21H,2H2,1H3
InChIKeyXPIOXZHGLYQLNZ-UHFFFAOYSA-N
XLogP2.06
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (CID 11666535) is 2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is CCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1.
What is the InChIKey of 2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is XPIOXZHGLYQLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-2-14-17-12-7-11(20)8-13(21)15(12)16(22)18(14)9-3-5-10(19)6-4-9/h3-8,19-21H,2H2,1H3.
What are the key properties of 2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 298.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 11666535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).