quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C22H26N6O2 — CID 134074129

IUPACquinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(c1cccc2ncccc12)N1CCCC2(COCCN(Cc3cn[nH]n3)C2)C1
InChIInChI=1S/C22H26N6O2/c29-21(19-4-1-6-20-18(19)5-2-8-23-20)28-9-3-7-22(15-28)14-27(10-11-30-16-22)13-17-12-24-26-25-17/h1-2,4-6,8,12H,3,7,9-11,13-16H2,(H,24,25,26)
InChIKeyOLERSJCAMPIVSK-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.11
Rot. Bonds3

About quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 134074129) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Namequinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID134074129
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Namequinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(c1cccc2ncccc12)N1CCCC2(COCCN(Cc3cn[nH]n3)C2)C1
InChIInChI=1S/C22H26N6O2/c29-21(19-4-1-6-20-18(19)5-2-8-23-20)28-9-3-7-22(15-28)14-27(10-11-30-16-22)13-17-12-24-26-25-17/h1-2,4-6,8,12H,3,7,9-11,13-16H2,(H,24,25,26)
InChIKeyOLERSJCAMPIVSK-UHFFFAOYSA-N
XLogP2.11
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494512
(1-phenylpyrazol-4-yl)-[(6R)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398015
(6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372776
2-[(5-methylthiophen-2-yl)methyl]-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118746048
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 97148065
2-[(6S)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]acetic acid
CID 97495025
(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone
CID 134072815
(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 128651253
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(2-fluorophenyl)methanone
CID 131661872
(6R)-11-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494971
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756

Frequently Asked Questions

What is the IUPAC name of quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 134074129) is quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C(c1cccc2ncccc12)N1CCCC2(COCCN(Cc3cn[nH]n3)C2)C1.
What is the InChIKey of quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is OLERSJCAMPIVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-21(19-4-1-6-20-18(19)5-2-8-23-20)28-9-3-7-22(15-28)14-27(10-11-30-16-22)13-17-12-24-26-25-17/h1-2,4-6,8,12H,3,7,9-11,13-16H2,(H,24,25,26).
What are the key properties of quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
quinolin-5-yl-[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-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 134074129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).