3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one

C21H22FN3O2S — CID 123598235

IUPAC3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one
SMILESO=C(Cc1nccs1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C21H22FN3O2S/c22-15-6-7-17-16(11-15)21(27)25(13-24-17)18(10-14-4-2-1-3-5-14)19(26)12-20-23-8-9-28-20/h6-9,11,13-14,18H,1-5,10,12H2
InChIKeyHFWGQZQHZMYKNX-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.32
Rot. Bonds6

About 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one

3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one (PubChem CID 123598235) has the molecular formula C21H22FN3O2S and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one
PubChem CID123598235
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC Name3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one
SMILESO=C(Cc1nccs1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C21H22FN3O2S/c22-15-6-7-17-16(11-15)21(27)25(13-24-17)18(10-14-4-2-1-3-5-14)19(26)12-20-23-8-9-28-20/h6-9,11,13-14,18H,1-5,10,12H2
InChIKeyHFWGQZQHZMYKNX-UHFFFAOYSA-N
XLogP4.32
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one
CID 123549709
3-[1-cyclohexyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123725788
3-[4-(5-chloro-1,3-thiazol-2-yl)-1-(oxan-4-yl)-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123810344
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
3-[4-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-3-oxobutan-2-yl]-7-(2-cyclopentylacetyl)quinazolin-4-one
CID 123897932
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
6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide
CID 123521465

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one?
The IUPAC name of 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one (CID 123598235) is 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one?
The canonical SMILES for 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one is O=C(Cc1nccs1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O.
What is the InChIKey of 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one?
The InChIKey is HFWGQZQHZMYKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2S/c22-15-6-7-17-16(11-15)21(27)25(13-24-17)18(10-14-4-2-1-3-5-14)19(26)12-20-23-8-9-28-20/h6-9,11,13-14,18H,1-5,10,12H2.
What are the key properties of 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one?
3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one has a molecular weight of 399.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one is sourced from PubChem (CID 123598235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).