methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate

C16H12N2O5 — CID 11515143

IUPACmethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate
SMILESCOC(=O)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C16H12N2O5/c1-23-16(22)12-6-11(20)7-13-14(12)15(21)18(8-17-13)9-2-4-10(19)5-3-9/h2-8,19-20H,1H3
InChIKeyMEMWSKYQWFYZFC-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.58
Rot. Bonds2

About methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate

methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate (PubChem CID 11515143) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate
PubChem CID11515143
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Namemethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate
SMILESCOC(=O)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C16H12N2O5/c1-23-16(22)12-6-11(20)7-13-14(12)15(21)18(8-17-13)9-2-4-10(19)5-3-9/h2-8,19-20H,1H3
InChIKeyMEMWSKYQWFYZFC-UHFFFAOYSA-N
XLogP1.58
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
7-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydroquinazoline-5-carbonitrile
CID 11572694
7-Hydroxy-3-(4-hydroxyphenyl)-5-phenyl-3,4-dihydroquinazolin-4-one
CID 11674336
3-[(3-Butyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)methylamino]benzoic acid
CID 71682980
methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)-4,5-dimethoxybenzoate
CID 1076254
Methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate
CID 127027446
Methyl 7-acetyloxy-3-(4-acetyloxyphenyl)-4-sulfanylidenequinazoline-5-carboxylate
CID 44409614

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate?
The IUPAC name of methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate (CID 11515143) is methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate?
The canonical SMILES for methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate is COC(=O)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12.
What is the InChIKey of methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate?
The InChIKey is MEMWSKYQWFYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-23-16(22)12-6-11(20)7-13-14(12)15(21)18(8-17-13)9-2-4-10(19)5-3-9/h2-8,19-20H,1H3.
What are the key properties of methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate?
methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate has a molecular weight of 312.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazoline-5-carboxylate is sourced from PubChem (CID 11515143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).