3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one

C25H26N6O2 — CID 1147716

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

3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 1147716) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
• PubChem CID: 1147716
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: 3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
• SMILES: Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2c1
• InChI: InChI=1S/C25H26N6O2/c1-16-8-9-18-14-20(25(32)26-21(18)13-16)23(30-11-10-17-5-2-3-7-22(17)30)24-27-28-29-31(24)15-19-6-4-12-33-19/h2-3,5,7-9,13-14,19,23H,4,6,10-12,15H2,1H3,(H,26,32)/t19-,23+/m1/s1
• InChIKey: NOYDHFQFEQHQPP-XXBNENTESA-N
• XLogP: 3.15
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one (CID 1147716) is 3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one.

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

The canonical SMILES for 3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2c1.

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

The InChIKey is NOYDHFQFEQHQPP-XXBNENTESA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-8-9-18-14-20(25(32)26-21(18)13-16)23(30-11-10-17-5-2-3-7-22(17)30)24-27-28-29-31(24)15-19-6-4-12-33-19/h2-3,5,7-9,13-14,19,23H,4,6,10-12,15H2,1H3,(H,26,32)/t19-,23+/m1/s1.

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

3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 442.52 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(S)-2,3-dihydroindol-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1147716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).