6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one

C16H16FN3O4 — CID 166889722

IUPAC6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one
SMILESCc1nc2c3c(c(OC4CN(C(=O)CF)C4)cc2c(=O)[nH]1)OCC3
InChIInChI=1S/C16H16FN3O4/c1-8-18-14-10-2-3-23-15(10)12(4-11(14)16(22)19-8)24-9-6-20(7-9)13(21)5-17/h4,9H,2-3,5-7H2,1H3,(H,18,19,22)
InChIKeyREQSRBOIBVFTQB-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.73
Rot. Bonds3

About 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one

6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one (PubChem CID 166889722) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one.

Molecular Properties

Compound Name6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one
PubChem CID166889722
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one
SMILESCc1nc2c3c(c(OC4CN(C(=O)CF)C4)cc2c(=O)[nH]1)OCC3
InChIInChI=1S/C16H16FN3O4/c1-8-18-14-10-2-3-23-15(10)12(4-11(14)16(22)19-8)24-9-6-20(7-9)13(21)5-17/h4,9H,2-3,5-7H2,1H3,(H,18,19,22)
InChIKeyREQSRBOIBVFTQB-UHFFFAOYSA-N
XLogP0.73
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one with MolForge

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Related Compounds

2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135399040
7-methoxy-2-methyl-6-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-3H-quinazolin-4-one
CID 167259600
2-(difluoromethyl)-7-methoxy-6-[(3S)-oxolan-3-yl]oxy-3H-quinazolin-4-one
CID 167259616
2-Cyclohexyl-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-ol
CID 136002643
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 55561223
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(4-fluorophenoxy)ethyl]azanium
CID 135808537
2-[[ethyl-[2-(4-fluorophenoxy)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808538
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 135820895
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(2-fluorophenoxy)acetamide
CID 135820896
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)acetamide
CID 135820921
2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135879083
2-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135996762

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one?
The IUPAC name of 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one (CID 166889722) is 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one.
What is the SMILES notation for 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one?
The canonical SMILES for 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one is Cc1nc2c3c(c(OC4CN(C(=O)CF)C4)cc2c(=O)[nH]1)OCC3.
What is the InChIKey of 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one?
The InChIKey is REQSRBOIBVFTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-8-18-14-10-2-3-23-15(10)12(4-11(14)16(22)19-8)24-9-6-20(7-9)13(21)5-17/h4,9H,2-3,5-7H2,1H3,(H,18,19,22).
What are the key properties of 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one?
6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one has a molecular weight of 333.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one is sourced from PubChem (CID 166889722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).