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

C18H18N2O4 — CID 11681405

IUPAC2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESCCCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C18H18N2O4/c1-2-3-4-16-19-14-9-13(22)10-15(23)17(14)18(24)20(16)11-5-7-12(21)8-6-11/h5-10,21-23H,2-4H2,1H3
InChIKeyNTRGIKZRUCVMNQ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.85
Rot. Bonds4

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

2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 11681405) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID11681405
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESCCCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C18H18N2O4/c1-2-3-4-16-19-14-9-13(22)10-15(23)17(14)18(24)20(16)11-5-7-12(21)8-6-11/h5-10,21-23H,2-4H2,1H3
InChIKeyNTRGIKZRUCVMNQ-UHFFFAOYSA-N
XLogP2.85
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (CID 11681405) is 2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is CCCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1.
What is the InChIKey of 2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is NTRGIKZRUCVMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-3-4-16-19-14-9-13(22)10-15(23)17(14)18(24)20(16)11-5-7-12(21)8-6-11/h5-10,21-23H,2-4H2,1H3.
What are the key properties of 2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 326.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 11681405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).