3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one

C26H30N6O — CID 3175304

About 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one

3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 3175304) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
• PubChem CID: 3175304
• Molecular Formula: C26H30N6O
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.25
• IUPAC Name: 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
• SMILES: Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCCC(C)C3)c(=O)[nH]c2c1C
• InChI: InChI=1S/C26H30N6O/c1-17-8-7-13-31(15-17)24(25-28-29-30-32(25)16-20-9-5-4-6-10-20)22-14-21-12-11-18(2)19(3)23(21)27-26(22)33/h4-6,9-12,14,17,24H,7-8,13,15-16H2,1-3H3,(H,27,33)
• InChIKey: GFAAQLFYJTXASE-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one?

The IUPAC name of 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 3175304) is 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one?

The canonical SMILES for 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCCC(C)C3)c(=O)[nH]c2c1C.

What is the InChIKey of 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one?

The InChIKey is GFAAQLFYJTXASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-17-8-7-13-31(15-17)24(25-28-29-30-32(25)16-20-9-5-4-6-10-20)22-14-21-12-11-18(2)19(3)23(21)27-26(22)33/h4-6,9-12,14,17,24H,7-8,13,15-16H2,1-3H3,(H,27,33).

What are the key properties of 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one?

3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 442.57 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-benzyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3175304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).