3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one

C27H30N6O — CID 3175156

About 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one

3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 3175156) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one
• PubChem CID: 3175156
• Molecular Formula: C27H30N6O
• Molecular Weight: 454.58 g/mol
• Exact Mass: 454.25
• IUPAC Name: 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one
• SMILES: Cc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3c4ccccc4CC3C)cc2c1
• InChI: InChI=1S/C27H30N6O/c1-17-12-13-23-20(14-17)16-22(27(34)28-23)25(32-18(2)15-19-8-6-7-11-24(19)32)26-29-30-31-33(26)21-9-4-3-5-10-21/h6-8,11-14,16,18,21,25H,3-5,9-10,15H2,1-2H3,(H,28,34)
• InChIKey: KLFGEBAGGDZLHR-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.58
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one?

The IUPAC name of 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one (CID 3175156) is 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one?

The canonical SMILES for 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3c4ccccc4CC3C)cc2c1.

What is the InChIKey of 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one?

The InChIKey is KLFGEBAGGDZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-17-12-13-23-20(14-17)16-22(27(34)28-23)25(32-18(2)15-19-8-6-7-11-24(19)32)26-29-30-31-33(26)21-9-4-3-5-10-21/h6-8,11-14,16,18,21,25H,3-5,9-10,15H2,1-2H3,(H,28,34).

What are the key properties of 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one?

3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 454.58 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3175156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).