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

C29H28N6O — CID 1455888

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

3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 1455888) has the molecular formula C29H28N6O and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
• PubChem CID: 1455888
• Molecular Formula: C29H28N6O
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.23
• IUPAC Name: 3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
• SMILES: Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c2cc1C
• InChI: InChI=1S/C29H28N6O/c1-19-16-23-18-24(29(36)30-25(23)17-20(19)2)27(34-14-13-22-10-6-7-11-26(22)34)28-31-32-33-35(28)15-12-21-8-4-3-5-9-21/h3-11,16-18,27H,12-15H2,1-2H3,(H,30,36)/t27-/m1/s1
• InChIKey: XFLOUSLLXWIUDL-HHHXNRCGSA-N
• XLogP: 4.53
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 1455888) is 3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.

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

The canonical SMILES for 3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c2cc1C.

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

The InChIKey is XFLOUSLLXWIUDL-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H28N6O/c1-19-16-23-18-24(29(36)30-25(23)17-20(19)2)27(34-14-13-22-10-6-7-11-26(22)34)28-31-32-33-35(28)15-12-21-8-4-3-5-9-21/h3-11,16-18,27H,12-15H2,1-2H3,(H,30,36)/t27-/m1/s1.

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

3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 476.58 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1455888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).