6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one

C20H20FN3O3S — CID 123549709

IUPAC6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one
SMILESO=C(Cc1nccs1)C(CC1CCOCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C20H20FN3O3S/c21-14-1-2-16-15(10-14)20(26)24(12-23-16)17(9-13-3-6-27-7-4-13)18(25)11-19-22-5-8-28-19/h1-2,5,8,10,12-13,17H,3-4,6-7,9,11H2
InChIKeyQQKBOOQQCWPWNG-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.16
Rot. Bonds6

About 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one

6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one (PubChem CID 123549709) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one
PubChem CID123549709
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one
SMILESO=C(Cc1nccs1)C(CC1CCOCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C20H20FN3O3S/c21-14-1-2-16-15(10-14)20(26)24(12-23-16)17(9-13-3-6-27-7-4-13)18(25)11-19-22-5-8-28-19/h1-2,5,8,10,12-13,17H,3-4,6-7,9,11H2
InChIKeyQQKBOOQQCWPWNG-UHFFFAOYSA-N
XLogP3.16
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one
CID 123598235
3-[4-(5-chloro-1,3-thiazol-2-yl)-1-(oxan-4-yl)-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123810344
7-(2-cyclopropylacetyl)-3-[4-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]quinazolin-4-one
CID 123173973
3-[1-cyclohexyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123725788
7-cyclopentylsulfonyl-3-[4-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]quinazolin-4-one
CID 123234551
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 58967479
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
CID 57461514
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide
CID 57461528
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-quinolin-2-ylpropanamide
CID 57461552
4-cyclohexyl-3-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 58506967
2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 57461506
6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide
CID 57461512

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one?
The IUPAC name of 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one (CID 123549709) is 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one is O=C(Cc1nccs1)C(CC1CCOCC1)n1cnc2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one?
The InChIKey is QQKBOOQQCWPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c21-14-1-2-16-15(10-14)20(26)24(12-23-16)17(9-13-3-6-27-7-4-13)18(25)11-19-22-5-8-28-19/h1-2,5,8,10,12-13,17H,3-4,6-7,9,11H2.
What are the key properties of 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one?
6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one has a molecular weight of 401.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one is sourced from PubChem (CID 123549709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).