6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

C30H30N6O — CID 25458007

About 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 25458007) has the molecular formula C30H30N6O and a molecular weight of 490.61 g/mol. Its IUPAC name is 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
• PubChem CID: 25458007
• Molecular Formula: C30H30N6O
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.25
• IUPAC Name: 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
• SMILES: Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)N3c4ccccc4C[C@@H]3C)c(=O)[nH]c2cc1C
• InChI: InChI=1S/C30H30N6O/c1-19-15-24-18-25(30(37)31-26(24)16-20(19)2)28(36-21(3)17-23-11-7-8-12-27(23)36)29-32-33-34-35(29)14-13-22-9-5-4-6-10-22/h4-12,15-16,18,21,28H,13-14,17H2,1-3H3,(H,31,37)/t21-,28-/m0/s1
• InChIKey: XTECETFIYPODCR-KMRXNPHXSA-N
• XLogP: 4.91
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?

The IUPAC name of 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 25458007) is 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

What is the SMILES notation for 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?

The canonical SMILES for 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)N3c4ccccc4C[C@@H]3C)c(=O)[nH]c2cc1C.

What is the InChIKey of 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?

The InChIKey is XTECETFIYPODCR-KMRXNPHXSA-N. The full InChI is InChI=1S/C30H30N6O/c1-19-15-24-18-25(30(37)31-26(24)16-20(19)2)28(36-21(3)17-23-11-7-8-12-27(23)36)29-32-33-34-35(29)14-13-22-9-5-4-6-10-22/h4-12,15-16,18,21,28H,13-14,17H2,1-3H3,(H,31,37)/t21-,28-/m0/s1.

What are the key properties of 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?

6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 490.61 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-3-[(S)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 25458007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).