2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one

C18H18N2O4 — CID 135566881

IUPAC2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)nc2c1
InChIInChI=1S/C18H18N2O4/c1-9-5-11(6-10(2)16(9)21)17-19-13-7-12(23-3)8-14(24-4)15(13)18(22)20-17/h5-8,21H,1-4H3,(H,19,20,22)
InChIKeyJKOMAPNLTUJAPI-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.93
Rot. Bonds3

About 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one

2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 135566881) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one
PubChem CID135566881
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)nc2c1
InChIInChI=1S/C18H18N2O4/c1-9-5-11(6-10(2)16(9)21)17-19-13-7-12(23-3)8-14(24-4)15(13)18(22)20-17/h5-8,21H,1-4H3,(H,19,20,22)
InChIKeyJKOMAPNLTUJAPI-UHFFFAOYSA-N
XLogP2.93
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Apabetalone
CID 135564749
2-(3,5-Dimethyl-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,7-dimethoxyquinazolin-4(3h)-one
CID 135567084
2-Butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11681405
3-Arylquinazolinone, 1aak
CID 10356502
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-3,4-dihydroquinazolin-4-one
CID 10379126
5,7-Dihydroxy-3-(4-hydroxyphenyl)-2-propyl-3,4-dihydroquinazolin-4-one
CID 11493338
2-Ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11666535
Adtl-bpi1901
CID 168297966
2,4-dimethoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 4360550
[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethoxyphenyl] 2-bromo-2-methylpropanoate
CID 155517447
[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl] 2-bromo-2-methylpropanoate
CID 155528992
5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 11587464

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one (CID 135566881) is 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one is COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)nc2c1.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is JKOMAPNLTUJAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-9-5-11(6-10(2)16(9)21)17-19-13-7-12(23-3)8-14(24-4)15(13)18(22)20-17/h5-8,21H,1-4H3,(H,19,20,22).
What are the key properties of 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one?
2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 326.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135566881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).