6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one

C20H28N2O4 — CID 171914116

IUPAC6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one
SMILESCOc1cc2c(=O)n(CC3(CC(C)C)CCC3)cnc2c(OC)c1OC
InChIInChI=1S/C20H28N2O4/c1-13(2)10-20(7-6-8-20)11-22-12-21-16-14(19(22)23)9-15(24-3)17(25-4)18(16)26-5/h9,12-13H,6-8,10-11H2,1-5H3
InChIKeyXVOUKVXNRHJVDF-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.64
Rot. Bonds7

About 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one

6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one (PubChem CID 171914116) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one
PubChem CID171914116
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one
SMILESCOc1cc2c(=O)n(CC3(CC(C)C)CCC3)cnc2c(OC)c1OC
InChIInChI=1S/C20H28N2O4/c1-13(2)10-20(7-6-8-20)11-22-12-21-16-14(19(22)23)9-15(24-3)17(25-4)18(16)26-5/h9,12-13H,6-8,10-11H2,1-5H3
InChIKeyXVOUKVXNRHJVDF-UHFFFAOYSA-N
XLogP3.64
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171914740
6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
CID 171909580
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171916483
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171388425
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913094
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171912180

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one?
The IUPAC name of 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one (CID 171914116) is 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one.
What is the SMILES notation for 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one?
The canonical SMILES for 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one is COc1cc2c(=O)n(CC3(CC(C)C)CCC3)cnc2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one?
The InChIKey is XVOUKVXNRHJVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13(2)10-20(7-6-8-20)11-22-12-21-16-14(19(22)23)9-15(24-3)17(25-4)18(16)26-5/h9,12-13H,6-8,10-11H2,1-5H3.
What are the key properties of 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one?
6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one has a molecular weight of 360.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one is sourced from PubChem (CID 171914116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).