8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline

C17H26N2O — CID 115075588

IUPAC8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N1CCC(C)(Oc2cccc3c2NCCC3)C1
InChIInChI=1S/C17H26N2O/c1-13(2)19-11-9-17(3,12-19)20-15-8-4-6-14-7-5-10-18-16(14)15/h4,6,8,13,18H,5,7,9-12H2,1-3H3
InChIKeyNFCCBNBNWFZBBB-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.30
Rot. Bonds3

About 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline

8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline (PubChem CID 115075588) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
PubChem CID115075588
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N1CCC(C)(Oc2cccc3c2NCCC3)C1
InChIInChI=1S/C17H26N2O/c1-13(2)19-11-9-17(3,12-19)20-15-8-4-6-14-7-5-10-18-16(14)15/h4,6,8,13,18H,5,7,9-12H2,1-3H3
InChIKeyNFCCBNBNWFZBBB-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1,3-dimethylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075729
8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076690
8-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075665
8-(1-propan-2-ylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075598
8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075679
7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074875
8-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075708
7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
CID 115074930
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075643
1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
CID 62929902
8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075697
8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075614

Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline (CID 115075588) is 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline is CC(C)N1CCC(C)(Oc2cccc3c2NCCC3)C1.
What is the InChIKey of 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is NFCCBNBNWFZBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19-11-9-17(3,12-19)20-15-8-4-6-14-7-5-10-18-16(14)15/h4,6,8,13,18H,5,7,9-12H2,1-3H3.
What are the key properties of 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 274.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).