(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide

C17H20FN3O2S — CID 136827673

IUPAC(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc2ccc(F)cc2c(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H20FN3O2S/c1-10(15(22)19-12-5-3-2-4-6-12)24-17-20-14-8-7-11(18)9-13(14)16(23)21-17/h7-10,12H,2-6H2,1H3,(H,19,22)(H,20,21,23)/t10-/m1/s1
InChIKeyMUARNXGNKGIIPJ-SNVBAGLBSA-N
MW349.43 g/mol
LogP2.99
Rot. Bonds4

About (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide

(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide (PubChem CID 136827673) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
PubChem CID136827673
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc2ccc(F)cc2c(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H20FN3O2S/c1-10(15(22)19-12-5-3-2-4-6-12)24-17-20-14-8-7-11(18)9-13(14)16(23)21-17/h7-10,12H,2-6H2,1H3,(H,19,22)(H,20,21,23)/t10-/m1/s1
InChIKeyMUARNXGNKGIIPJ-SNVBAGLBSA-N
XLogP2.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide (CID 136827673) is (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nc2ccc(F)cc2c(=O)[nH]1)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The InChIKey is MUARNXGNKGIIPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-10(15(22)19-12-5-3-2-4-6-12)24-17-20-14-8-7-11(18)9-13(14)16(23)21-17/h7-10,12H,2-6H2,1H3,(H,19,22)(H,20,21,23)/t10-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 136827673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).