3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one

C29H28N6O3 — CID 1160335

About 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one

3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 1160335) has the molecular formula C29H28N6O3 and a molecular weight of 508.58 g/mol. Its IUPAC name is 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
• PubChem CID: 1160335
• Molecular Formula: C29H28N6O3
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.22
• IUPAC Name: 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
• SMILES: CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)N3CCc4ccccc43)cc2c1
• InChI: InChI=1S/C29H28N6O3/c1-3-38-23-12-13-25-21(16-23)17-24(29(36)30-25)27(34-15-14-20-6-4-5-7-26(20)34)28-31-32-33-35(28)18-19-8-10-22(37-2)11-9-19/h4-13,16-17,27H,3,14-15,18H2,1-2H3,(H,30,36)/t27-/m1/s1
• InChIKey: DRRRTPIJYWYTCE-HHHXNRCGSA-N
• XLogP: 4.12
• TPSA: 98.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one?

The IUPAC name of 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one (CID 1160335) is 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one.

What is the SMILES notation for 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one?

The canonical SMILES for 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)N3CCc4ccccc43)cc2c1.

What is the InChIKey of 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one?

The InChIKey is DRRRTPIJYWYTCE-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H28N6O3/c1-3-38-23-12-13-25-21(16-23)17-24(29(36)30-25)27(34-15-14-20-6-4-5-7-26(20)34)28-31-32-33-35(28)18-19-8-10-22(37-2)11-9-19/h4-13,16-17,27H,3,14-15,18H2,1-2H3,(H,30,36)/t27-/m1/s1.

What are the key properties of 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one?

3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 508.58 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 1160335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).