3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one

C14H17N3O3 — CID 6488201

IUPAC3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2nc(C3CCC3)n(N)c(=O)c2cc1OC
InChIInChI=1S/C14H17N3O3/c1-19-11-6-9-10(7-12(11)20-2)16-13(8-4-3-5-8)17(15)14(9)18/h6-8H,3-5,15H2,1-2H3
InChIKeyFDVYXWACRDSRMZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.39
Rot. Bonds3

About 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one

3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one (PubChem CID 6488201) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one
PubChem CID6488201
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2nc(C3CCC3)n(N)c(=O)c2cc1OC
InChIInChI=1S/C14H17N3O3/c1-19-11-6-9-10(7-12(11)20-2)16-13(8-4-3-5-8)17(15)14(9)18/h6-8H,3-5,15H2,1-2H3
InChIKeyFDVYXWACRDSRMZ-UHFFFAOYSA-N
XLogP1.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one
CID 135409305
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-quinazolin-4-one
CID 135415476
N-(2-Isobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-benzamide
CID 649633
N-(2-Cyclopropyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-4-fluoro-benzamide
CID 652489
3-Methoxy-cyclohexanecarboxylic acid (2-cyclobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-amide
CID 653945
N-(2-Isobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-2,4-dimethoxy-benzamide
CID 1457862
Cyclobutanecarboxylic acid (2-cyclobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-amide
CID 1457965
3-[(2-Butyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 71682831
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135444021

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one?
The IUPAC name of 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one (CID 6488201) is 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one.
What is the SMILES notation for 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one?
The canonical SMILES for 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one is COc1cc2nc(C3CCC3)n(N)c(=O)c2cc1OC.
What is the InChIKey of 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one?
The InChIKey is FDVYXWACRDSRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-11-6-9-10(7-12(11)20-2)16-13(8-4-3-5-8)17(15)14(9)18/h6-8H,3-5,15H2,1-2H3.
What are the key properties of 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one?
3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one has a molecular weight of 275.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclobutyl-6,7-dimethoxyquinazolin-4-one is sourced from PubChem (CID 6488201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).