8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one

C17H17FN2O3 — CID 170753306

IUPAC8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C3CC3)c([C@@H]3CCCO3)nc12
InChIInChI=1S/C17H17FN2O3/c1-9(21)12-7-10(18)8-13-15(12)19-16(14-3-2-6-23-14)20(17(13)22)11-4-5-11/h7-8,11,14H,2-6H2,1H3/t14-/m0/s1
InChIKeyCXERTPYDSLADRB-AWEZNQCLSA-N
MW316.33 g/mol
LogP2.92
Rot. Bonds3

About 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one

8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one (PubChem CID 170753306) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one
PubChem CID170753306
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C3CC3)c([C@@H]3CCCO3)nc12
InChIInChI=1S/C17H17FN2O3/c1-9(21)12-7-10(18)8-13-15(12)19-16(14-3-2-6-23-14)20(17(13)22)11-4-5-11/h7-8,11,14H,2-6H2,1H3/t14-/m0/s1
InChIKeyCXERTPYDSLADRB-AWEZNQCLSA-N
XLogP2.92
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one
CID 3532242
7-(3-Fluorophenyl)-3-methyl-2-(oxolan-2-yl)quinazolin-4-one
CID 69937962
(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170753096
8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one
CID 170753118
(R)-N-[1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 170753185
(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170753222
8-Acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one
CID 170753229
(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2S)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170753254
8-Acetyl-3-(difluoromethyl)-6-fluoro-2-(oxan-4-yl)quinazolin-4-one
CID 170753256
8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one
CID 170753291
(R)-N-[1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2S)-oxolan-2-yl]quinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 170753301
(R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 170753382

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one?
The IUPAC name of 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one (CID 170753306) is 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one.
What is the SMILES notation for 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one?
The canonical SMILES for 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one is CC(=O)c1cc(F)cc2c(=O)n(C3CC3)c([C@@H]3CCCO3)nc12.
What is the InChIKey of 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one?
The InChIKey is CXERTPYDSLADRB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-9(21)12-7-10(18)8-13-15(12)19-16(14-3-2-6-23-14)20(17(13)22)11-4-5-11/h7-8,11,14H,2-6H2,1H3/t14-/m0/s1.
What are the key properties of 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one?
8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one has a molecular weight of 316.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one is sourced from PubChem (CID 170753306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).