quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C22H26N6O2 — CID 97494512

About quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 97494512) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

• Compound Name: quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
• PubChem CID: 97494512
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
• SMILES: O=C(c1ccc2ccccc2n1)N1CCC[C@@]2(COCCN(Cc3cn[nH]n3)C2)C1
• InChI: InChI=1S/C22H26N6O2/c29-21(20-7-6-17-4-1-2-5-19(17)24-20)28-9-3-8-22(15-28)14-27(10-11-30-16-22)13-18-12-23-26-25-18/h1-2,4-7,12H,3,8-11,13-16H2,(H,23,25,26)/t22-/m0/s1
• InChIKey: CGZSBPOVBOTDQV-QFIPXVFZSA-N
• XLogP: 2.11
• TPSA: 87.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?

The IUPAC name of quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 97494512) is quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

What is the SMILES notation for quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?

The canonical SMILES for quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C(c1ccc2ccccc2n1)N1CCC[C@@]2(COCCN(Cc3cn[nH]n3)C2)C1.

What is the InChIKey of quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?

The InChIKey is CGZSBPOVBOTDQV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-21(20-7-6-17-4-1-2-5-19(17)24-20)28-9-3-8-22(15-28)14-27(10-11-30-16-22)13-18-12-23-26-25-18/h1-2,4-7,12H,3,8-11,13-16H2,(H,23,25,26)/t22-/m0/s1.

What are the key properties of quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?

quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 406.49 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 97494512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).