3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide

C25H24FN5O3S — CID 131954193

About 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide

3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide (PubChem CID 131954193) has the molecular formula C25H24FN5O3S and a molecular weight of 493.56 g/mol. Its IUPAC name is 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide.

Molecular Properties

• Compound Name: 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
• PubChem CID: 131954193
• Molecular Formula: C25H24FN5O3S
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.16
• IUPAC Name: 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
• SMILES: O=C(CCSC1=NC(=O)C2=CC(F)C=CC2=N1)NC1CCC(c2nnc(-c3ccccc3)o2)CC1
• InChI: InChI=1S/C25H24FN5O3S/c26-17-8-11-20-19(14-17)22(33)29-25(28-20)35-13-12-21(32)27-18-9-6-16(7-10-18)24-31-30-23(34-24)15-4-2-1-3-5-15/h1-5,8,11,14,16-18H,6-7,9-10,12-13H2,(H,27,32)
• InChIKey: DSYNOGFAUNBUHY-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 109.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?

The IUPAC name of 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide (CID 131954193) is 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide.

What is the SMILES notation for 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?

The canonical SMILES for 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide is O=C(CCSC1=NC(=O)C2=CC(F)C=CC2=N1)NC1CCC(c2nnc(-c3ccccc3)o2)CC1.

What is the InChIKey of 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?

The InChIKey is DSYNOGFAUNBUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3S/c26-17-8-11-20-19(14-17)22(33)29-25(28-20)35-13-12-21(32)27-18-9-6-16(7-10-18)24-31-30-23(34-24)15-4-2-1-3-5-15/h1-5,8,11,14,16-18H,6-7,9-10,12-13H2,(H,27,32).

What are the key properties of 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?

3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide has a molecular weight of 493.56 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6-fluoro-4-oxo-6H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide is sourced from PubChem (CID 131954193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).