2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline

C18H25NO — CID 106780453

IUPAC2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C2CCOC3(CCC3)C2)c2ccccc2N1
InChIInChI=1S/C18H25NO/c1-13-11-16(15-5-2-3-6-17(15)19-13)14-7-10-20-18(12-14)8-4-9-18/h2-3,5-6,13-14,16,19H,4,7-12H2,1H3
InChIKeyWBWQWWPJMWEUHE-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.32
Rot. Bonds1

About 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline

2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106780453) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106780453
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C2CCOC3(CCC3)C2)c2ccccc2N1
InChIInChI=1S/C18H25NO/c1-13-11-16(15-5-2-3-6-17(15)19-13)14-7-10-20-18(12-14)8-4-9-18/h2-3,5-6,13-14,16,19H,4,7-12H2,1H3
InChIKeyWBWQWWPJMWEUHE-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106778974
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895170
3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline
CID 115318601
2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894496
2-methyl-6-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 106780757
4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894723
5-oxaspiro[3.5]nonan-8-yl-(2-phenylcyclopropyl)methanol
CID 115819710
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-isoindole
CID 79906704
2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780788
2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
CID 79900843
3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
CID 104680489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline (CID 106780453) is 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline is CC1CC(C2CCOC3(CCC3)C2)c2ccccc2N1.
What is the InChIKey of 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WBWQWWPJMWEUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13-11-16(15-5-2-3-6-17(15)19-13)14-7-10-20-18(12-14)8-4-9-18/h2-3,5-6,13-14,16,19H,4,7-12H2,1H3.
What are the key properties of 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline?
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 271.40 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).