6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline

C15H22N2O — CID 103534198

IUPAC6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOC1CCN(c2ccc3c(c2)CCC(C)N3)C1
InChIInChI=1S/C15H22N2O/c1-11-3-4-12-9-13(5-6-15(12)16-11)17-8-7-14(10-17)18-2/h5-6,9,11,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyIDNWALLUZHPCHN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds2

About 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline

6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 103534198) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID103534198
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOC1CCN(c2ccc3c(c2)CCC(C)N3)C1
InChIInChI=1S/C15H22N2O/c1-11-3-4-12-9-13(5-6-15(12)16-11)17-8-7-14(10-17)18-2/h5-6,9,11,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyIDNWALLUZHPCHN-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
CID 81215544
N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
CID 81218412
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 103496417
2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215343
2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81218537
2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81215382
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
1-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
CID 90124019
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 81218555
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 81218003
[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol
CID 103535412

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline (CID 103534198) is 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline is COC1CCN(c2ccc3c(c2)CCC(C)N3)C1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is IDNWALLUZHPCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-3-4-12-9-13(5-6-15(12)16-11)17-8-7-14(10-17)18-2/h5-6,9,11,14,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?
6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 246.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103534198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).