3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one

C19H20N2O5 — CID 171913415

IUPAC3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCc3ccc(O)cc3)cnc2c(OC)c1OC
InChIInChI=1S/C19H20N2O5/c1-24-15-10-14-16(18(26-3)17(15)25-2)20-11-21(19(14)23)9-8-12-4-6-13(22)7-5-12/h4-7,10-11,22H,8-9H2,1-3H3
InChIKeyWGJYXYMHIIGFAM-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.37
Rot. Bonds6

About 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one

3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171913415) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171913415
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCc3ccc(O)cc3)cnc2c(OC)c1OC
InChIInChI=1S/C19H20N2O5/c1-24-15-10-14-16(18(26-3)17(15)25-2)20-11-21(19(14)23)9-8-12-4-6-13(22)7-5-12/h4-7,10-11,22H,8-9H2,1-3H3
InChIKeyWGJYXYMHIIGFAM-UHFFFAOYSA-N
XLogP2.37
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
3-[2-(benzotriazol-1-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171385492
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171912180
3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910845
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171916483
3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171388425
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
6,7,8-trimethoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinazolin-4-one
CID 171915041
6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
CID 171909580

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one (CID 171913415) is 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one is COc1cc2c(=O)n(CCc3ccc(O)cc3)cnc2c(OC)c1OC.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is WGJYXYMHIIGFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-24-15-10-14-16(18(26-3)17(15)25-2)20-11-21(19(14)23)9-8-12-4-6-13(22)7-5-12/h4-7,10-11,22H,8-9H2,1-3H3.
What are the key properties of 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one?
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 356.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171913415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).