2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one

C16H18F2N2O4 — CID 136529091

IUPAC2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(COC3CCCC3)nc2cc1OC(F)F
InChIInChI=1S/C16H18F2N2O4/c1-22-12-6-10-11(7-13(12)24-16(17)18)19-14(20-15(10)21)8-23-9-4-2-3-5-9/h6-7,9,16H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyDCJSFSQMNKXJRM-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.99
Rot. Bonds6

About 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one

2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one (PubChem CID 136529091) has the molecular formula C16H18F2N2O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one
PubChem CID136529091
Molecular FormulaC16H18F2N2O4
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(COC3CCCC3)nc2cc1OC(F)F
InChIInChI=1S/C16H18F2N2O4/c1-22-12-6-10-11(7-13(12)24-16(17)18)19-14(20-15(10)21)8-23-9-4-2-3-5-9/h6-7,9,16H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyDCJSFSQMNKXJRM-UHFFFAOYSA-N
XLogP2.99
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one
CID 135409305
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one
CID 135399673
3-Amino-2-cyclobutyl-6,7-dimethoxy-3H-quinazolin-4-one
CID 6488201
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
Cyclobutanecarboxylic acid (2-cyclobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-amide
CID 1457965
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135415503
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-(3-methylbutyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135476410

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one (CID 136529091) is 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one is COc1cc2c(=O)[nH]c(COC3CCCC3)nc2cc1OC(F)F.
What is the InChIKey of 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one?
The InChIKey is DCJSFSQMNKXJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4/c1-22-12-6-10-11(7-13(12)24-16(17)18)19-14(20-15(10)21)8-23-9-4-2-3-5-9/h6-7,9,16H,2-5,8H2,1H3,(H,19,20,21).
What are the key properties of 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one?
2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one has a molecular weight of 340.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136529091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).