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

C15H16N2O4 — CID 166889770

IUPAC2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one
SMILESCc1nc2c3c(c(O[C@H]4CCOC4)cc2c(=O)[nH]1)OCC3
InChIInChI=1S/C15H16N2O4/c1-8-16-13-10-3-5-20-14(10)12(6-11(13)15(18)17-8)21-9-2-4-19-7-9/h6,9H,2-5,7H2,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyJFZXXIGZCRUDTR-VIFPVBQESA-N
MW288.30 g/mol
LogP1.33
Rot. Bonds2

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

2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one (PubChem CID 166889770) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one
PubChem CID166889770
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one
SMILESCc1nc2c3c(c(O[C@H]4CCOC4)cc2c(=O)[nH]1)OCC3
InChIInChI=1S/C15H16N2O4/c1-8-16-13-10-3-5-20-14(10)12(6-11(13)15(18)17-8)21-9-2-4-19-7-9/h6,9H,2-5,7H2,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyJFZXXIGZCRUDTR-VIFPVBQESA-N
XLogP1.33
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-Dimethoxy-2-methylquinazolin-4-ol
CID 135427503
2-(fluoromethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136240218
7-[[(3S,3aR,6S,6aS)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-methoxy-3H-quinazolin-4-one
CID 136345360
6-[1-(2-fluoroacetyl)azetidin-3-yl]oxy-2-methyl-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one
CID 166889722
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
6-propyl-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 136803779
6,7-diethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135442271
2-[[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 136060143
2-(cyclopentyloxymethyl)-7-(difluoromethoxy)-6-methoxy-3H-quinazolin-4-one
CID 136529091
2-chloromethyl-6,7-diethoxy-3H-quinazolin-4-one
CID 135516629
2-Methyl-7,8-dihydro[1,4]dioxino[2,3-g]quinazolin-4(1H)-one
CID 135573284

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one?
The IUPAC name of 2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one (CID 166889770) is 2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one.
What is the SMILES notation for 2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one?
The canonical SMILES for 2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one is Cc1nc2c3c(c(O[C@H]4CCOC4)cc2c(=O)[nH]1)OCC3.
What is the InChIKey of 2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one?
The InChIKey is JFZXXIGZCRUDTR-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8-16-13-10-3-5-20-14(10)12(6-11(13)15(18)17-8)21-9-2-4-19-7-9/h6,9H,2-5,7H2,1H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of 2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one?
2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one has a molecular weight of 288.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3S)-oxolan-3-yl]oxy-8,9-dihydro-3H-furo[2,3-h]quinazolin-4-one is sourced from PubChem (CID 166889770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).