6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol

C20H21N3O — CID 170578291

IUPAC6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC=C1c1cc2ccc(C3CC4(CNC4)C3)cc2nn1
InChIInChI=1S/C20H21N3O/c24-19-4-2-1-3-16(19)18-8-14-6-5-13(7-17(14)22-23-18)15-9-20(10-15)11-21-12-20/h3-8,15,21,24H,1-2,9-12H2
InChIKeyWSKPVZHSVHMPNS-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.72
Rot. Bonds2

About 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol

6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol (PubChem CID 170578291) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol
PubChem CID170578291
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC=C1c1cc2ccc(C3CC4(CNC4)C3)cc2nn1
InChIInChI=1S/C20H21N3O/c24-19-4-2-1-3-16(19)18-8-14-6-5-13(7-17(14)22-23-18)15-9-20(10-15)11-21-12-20/h3-8,15,21,24H,1-2,9-12H2
InChIKeyWSKPVZHSVHMPNS-UHFFFAOYSA-N
XLogP3.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol with MolForge

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Related Compounds

2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol
CID 170350851
6-(4-cyclopropyl-2-methylphenyl)-2-azaspiro[3.3]heptane
CID 175711449
1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione
CID 171406830
2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid
CID 90107316
6-[4-(difluoromethyl)-3-methylphenyl]-2-azaspiro[3.4]octane
CID 175711436
7-(3,3-dimethylcyclobutyl)-2-oxo-1H-quinoline-3-carboxamide
CID 176988893
7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one
CID 170351289
2-(2-azaspiro[3.5]nonan-7-yl)quinoline
CID 175711459
2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol
CID 170350168
6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane
CID 170973750
2,2,6,6-tetramethyl-4-[4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalen-2-yl]phenyl]piperidine
CID 118102540
6-cyclopropyl-1H-indole-2-carboxylic acid
CID 79983056

Frequently Asked Questions

What is the IUPAC name of 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol (CID 170578291) is 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol is OC1=CCCC=C1c1cc2ccc(C3CC4(CNC4)C3)cc2nn1.
What is the InChIKey of 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol?
The InChIKey is WSKPVZHSVHMPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-19-4-2-1-3-16(19)18-8-14-6-5-13(7-17(14)22-23-18)15-9-20(10-15)11-21-12-20/h3-8,15,21,24H,1-2,9-12H2.
What are the key properties of 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol?
6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol has a molecular weight of 319.41 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2-azaspiro[3.3]heptan-6-yl)cinnolin-3-yl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 170578291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).