3-tert-butyl-6,7-dimethoxyquinazolin-4-one

C14H18N2O3 — CID 7749368

IUPAC3-tert-butyl-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2ncn(C(C)(C)C)c(=O)c2cc1OC
InChIInChI=1S/C14H18N2O3/c1-14(2,3)16-8-15-10-7-12(19-5)11(18-4)6-9(10)13(16)17/h6-8H,1-5H3
InChIKeyZYCLHNLGCMVDFC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.17
Rot. Bonds2

About 3-tert-butyl-6,7-dimethoxyquinazolin-4-one

3-tert-butyl-6,7-dimethoxyquinazolin-4-one (PubChem CID 7749368) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-tert-butyl-6,7-dimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-tert-butyl-6,7-dimethoxyquinazolin-4-one
PubChem CID7749368
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-tert-butyl-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2ncn(C(C)(C)C)c(=O)c2cc1OC
InChIInChI=1S/C14H18N2O3/c1-14(2,3)16-8-15-10-7-12(19-5)11(18-4)6-9(10)13(16)17/h6-8H,1-5H3
InChIKeyZYCLHNLGCMVDFC-UHFFFAOYSA-N
XLogP2.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
CID 7749326
N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166393120
8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 132517505
[7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate
CID 69284399
6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 29148303
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
CID 7749360
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 118722441
methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate
CID 7749347
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
ethyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methylbenzenesulfonate
CID 87740591

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,7-dimethoxyquinazolin-4-one?
The IUPAC name of 3-tert-butyl-6,7-dimethoxyquinazolin-4-one (CID 7749368) is 3-tert-butyl-6,7-dimethoxyquinazolin-4-one.
What is the SMILES notation for 3-tert-butyl-6,7-dimethoxyquinazolin-4-one?
The canonical SMILES for 3-tert-butyl-6,7-dimethoxyquinazolin-4-one is COc1cc2ncn(C(C)(C)C)c(=O)c2cc1OC.
What is the InChIKey of 3-tert-butyl-6,7-dimethoxyquinazolin-4-one?
The InChIKey is ZYCLHNLGCMVDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)16-8-15-10-7-12(19-5)11(18-4)6-9(10)13(16)17/h6-8H,1-5H3.
What are the key properties of 3-tert-butyl-6,7-dimethoxyquinazolin-4-one?
3-tert-butyl-6,7-dimethoxyquinazolin-4-one has a molecular weight of 262.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,7-dimethoxyquinazolin-4-one is sourced from PubChem (CID 7749368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).