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

C28H32N6O — CID 3175296

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

3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 3175296) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
• PubChem CID: 3175296
• Molecular Formula: C28H32N6O
• Molecular Weight: 468.61 g/mol
• Exact Mass: 468.26
• IUPAC Name: 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
• SMILES: Cc1ccc2cc(C(c3nnnn3C3CCCCC3)N3c4ccccc4CC3C)c(=O)[nH]c2c1C
• InChI: InChI=1S/C28H32N6O/c1-17-13-14-21-16-23(28(35)29-25(21)19(17)3)26(33-18(2)15-20-9-7-8-12-24(20)33)27-30-31-32-34(27)22-10-5-4-6-11-22/h7-9,12-14,16,18,22,26H,4-6,10-11,15H2,1-3H3,(H,29,35)
• InChIKey: OUTYMCQSCRLCGC-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.61
LogP ≤ 5	5.18
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]-7,8-dimethyl-1H-quinolin-2-one?

The IUPAC name of 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 3175296) is 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one.

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

The canonical SMILES for 3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(C(c3nnnn3C3CCCCC3)N3c4ccccc4CC3C)c(=O)[nH]c2c1C.

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

The InChIKey is OUTYMCQSCRLCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-17-13-14-21-16-23(28(35)29-25(21)19(17)3)26(33-18(2)15-20-9-7-8-12-24(20)33)27-30-31-32-34(27)22-10-5-4-6-11-22/h7-9,12-14,16,18,22,26H,4-6,10-11,15H2,1-3H3,(H,29,35).

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

3-[(1-cyclohexyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 468.61 g/mol, XLogP of 5.18, 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]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3175296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).