7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile

C15H9N3O3 — CID 11572694

IUPAC7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile
SMILESN#Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C15H9N3O3/c16-7-9-5-12(20)6-13-14(9)15(21)18(8-17-13)10-1-3-11(19)4-2-10/h1-6,8,19-20H
InChIKeyXRRKCZCIDGLMFZ-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.67
Rot. Bonds1

About 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile

7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile (PubChem CID 11572694) has the molecular formula C15H9N3O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile
PubChem CID11572694
Molecular FormulaC15H9N3O3
Molecular Weight279.26 g/mol
Exact Mass279.06
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile
SMILESN#Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C15H9N3O3/c16-7-9-5-12(20)6-13-14(9)15(21)18(8-17-13)10-1-3-11(19)4-2-10/h1-6,8,19-20H
InChIKeyXRRKCZCIDGLMFZ-UHFFFAOYSA-N
XLogP1.67
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-Dihydroxy-3-(4-hydroxy-2-methylphenyl)-3,4-dihydroquinazolin-4-one
CID 10334049
5-Ethenyl-7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11543706
5-Ethyl-7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11558237
7-Hydroxy-3-(4-hydroxyphenyl)-5-methyl-3,4-dihydroquinazolin-4-one
CID 11565235
7-Hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11579721
7-Hydroxy-3-(4-hydroxyphenyl)-5-(prop-1-en-2-yl)-3,4-dihydroquinazolin-4-one
CID 11637913
7-Hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11644885
Libvatrep
CID 25138363
Methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydroquinazoline-5-carboxylate
CID 11515143
5-Amino-7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11558075
5,7-Dihydroxy-3-(4-hydroxy-3-methylphenyl)-3,4-dihydroquinazolin-4-one
CID 11644884
7-Hydroxy-3-(4-hydroxyphenyl)-5-phenyl-3,4-dihydroquinazolin-4-one
CID 11674336

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile (CID 11572694) is 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile is N#Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile?
The InChIKey is XRRKCZCIDGLMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O3/c16-7-9-5-12(20)6-13-14(9)15(21)18(8-17-13)10-1-3-11(19)4-2-10/h1-6,8,19-20H.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile?
7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile has a molecular weight of 279.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carbonitrile is sourced from PubChem (CID 11572694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).