9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C21H29N3O3 — CID 138385159

IUPAC9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1cc2nc(N3CCC4(CC3)CN(C)CCO4)cc(C)c2cc1OC
InChIInChI=1S/C21H29N3O3/c1-15-11-20(22-17-13-19(26-4)18(25-3)12-16(15)17)24-7-5-21(6-8-24)14-23(2)9-10-27-21/h11-13H,5-10,14H2,1-4H3
InChIKeyCVIVLOFELYSWRW-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.86
Rot. Bonds3

About 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 138385159) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID138385159
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1cc2nc(N3CCC4(CC3)CN(C)CCO4)cc(C)c2cc1OC
InChIInChI=1S/C21H29N3O3/c1-15-11-20(22-17-13-19(26-4)18(25-3)12-16(15)17)24-7-5-21(6-8-24)14-23(2)9-10-27-21/h11-13H,5-10,14H2,1-4H3
InChIKeyCVIVLOFELYSWRW-UHFFFAOYSA-N
XLogP2.86
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382150
[(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811354
4-(6,7-dimethoxy-4-methylquinolin-2-yl)-2-(1-methyltetrazol-5-yl)morpholine
CID 166614364
methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 170747553
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline
CID 72878008
formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
CID 154922930
4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
CID 138379468
1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
CID 14068999
8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 167743997
6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
CID 90673657
9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382783

Frequently Asked Questions

What is the IUPAC name of 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 138385159) is 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is COc1cc2nc(N3CCC4(CC3)CN(C)CCO4)cc(C)c2cc1OC.
What is the InChIKey of 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is CVIVLOFELYSWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-11-20(22-17-13-19(26-4)18(25-3)12-16(15)17)24-7-5-21(6-8-24)14-23(2)9-10-27-21/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 371.48 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 138385159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).