quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

C18H21N3O2 — CID 170666412

IUPACquinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCN1CC2(CCN(C(=O)Oc3ccc4cccnc4c3)CC2)C1
InChIInChI=1S/C18H21N3O2/c1-20-12-18(13-20)6-9-21(10-7-18)17(22)23-15-5-4-14-3-2-8-19-16(14)11-15/h2-5,8,11H,6-7,9-10,12-13H2,1H3
InChIKeyVLFHODANDFYUDQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.76
Rot. Bonds1

About quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 170666412) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namequinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID170666412
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Namequinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCN1CC2(CCN(C(=O)Oc3ccc4cccnc4c3)CC2)C1
InChIInChI=1S/C18H21N3O2/c1-20-12-18(13-20)6-9-21(10-7-18)17(22)23-15-5-4-14-3-2-8-19-16(14)11-15/h2-5,8,11H,6-7,9-10,12-13H2,1H3
InChIKeyVLFHODANDFYUDQ-UHFFFAOYSA-N
XLogP2.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
(7-methoxyquinolin-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 171681019
quinolin-7-yl quinoline-7-carboxylate
CID 142797869
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
tert-butyl 2-cyano-2-(4-quinolin-7-ylphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 146471062
phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3233977
1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
3-methyl-2-quinolin-7-yloxybutanoic acid
CID 107313050
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid
CID 107314073
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
2-quinolin-7-yloxyacetohydrazide
CID 107315402

Frequently Asked Questions

What is the IUPAC name of quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 170666412) is quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate is CN1CC2(CCN(C(=O)Oc3ccc4cccnc4c3)CC2)C1.
What is the InChIKey of quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is VLFHODANDFYUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-12-18(13-20)6-9-21(10-7-18)17(22)23-15-5-4-14-3-2-8-19-16(14)11-15/h2-5,8,11H,6-7,9-10,12-13H2,1H3.
What are the key properties of quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 170666412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).