3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one

C24H25FN6O — CID 1158470

About 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one

3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one (PubChem CID 1158470) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one
• PubChem CID: 1158470
• Molecular Formula: C24H25FN6O
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.21
• IUPAC Name: 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one
• SMILES: Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c12
• InChI: InChI=1S/C24H25FN6O/c1-16-6-5-7-18-14-20(24(32)26-21(16)18)22(30-12-3-2-4-13-30)23-27-28-29-31(23)15-17-8-10-19(25)11-9-17/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,26,32)/t22-/m1/s1
• InChIKey: KGIJNAMUTSOYHK-JOCHJYFZSA-N
• XLogP: 3.59
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one?

The IUPAC name of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one (CID 1158470) is 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one?

The canonical SMILES for 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c12.

What is the InChIKey of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one?

The InChIKey is KGIJNAMUTSOYHK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-16-6-5-7-18-14-20(24(32)26-21(16)18)22(30-12-3-2-4-13-30)23-27-28-29-31(23)15-17-8-10-19(25)11-9-17/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,26,32)/t22-/m1/s1.

What are the key properties of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one?

3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 432.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1158470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).