3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one

C26H28N6O2 — CID 1375332

About 3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one

3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 1375332) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one
• PubChem CID: 1375332
• Molecular Formula: C26H28N6O2
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.23
• IUPAC Name: 3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one
• SMILES: COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@H]3C)cc2c1
• InChI: InChI=1S/C26H28N6O2/c1-16-13-17-7-3-6-10-23(17)31(16)24(25-28-29-30-32(25)19-8-4-5-9-19)21-15-18-14-20(34-2)11-12-22(18)27-26(21)33/h3,6-7,10-12,14-16,19,24H,4-5,8-9,13H2,1-2H3,(H,27,33)/t16-,24-/m1/s1
• InChIKey: YXZFPAOCMYINTG-VOIUYBSRSA-N
• XLogP: 4.18
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one (CID 1375332) is 3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one.

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

The canonical SMILES for 3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@H]3C)cc2c1.

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

The InChIKey is YXZFPAOCMYINTG-VOIUYBSRSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16-13-17-7-3-6-10-23(17)31(16)24(25-28-29-30-32(25)19-8-4-5-9-19)21-15-18-14-20(34-2)11-12-22(18)27-26(21)33/h3,6-7,10-12,14-16,19,24H,4-5,8-9,13H2,1-2H3,(H,27,33)/t16-,24-/m1/s1.

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

3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 456.55 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 1375332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).