2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline

C15H22N2 — CID 62372829

IUPAC2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CC1CCNC1
InChIInChI=1S/C15H22N2/c1-12-6-7-14-4-2-3-5-15(14)17(12)11-13-8-9-16-10-13/h2-5,12-13,16H,6-11H2,1H3
InChIKeyKKJPIHUPRCPHDJ-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.44
Rot. Bonds2

About 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline

2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline (PubChem CID 62372829) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
PubChem CID62372829
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CC1CCNC1
InChIInChI=1S/C15H22N2/c1-12-6-7-14-4-2-3-5-15(14)17(12)11-13-8-9-16-10-13/h2-5,12-13,16H,6-11H2,1H3
InChIKeyKKJPIHUPRCPHDJ-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
CID 62211993
2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 63716022
2-methyl-1-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-quinoline
CID 43199526
2-methyl-1-[(3-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline
CID 102775515
2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 54945544
1,4-dimethyl-5-(piperidin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine
CID 119932653
N,4-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-amine
CID 63481960
1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 82239891
1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 55166125
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine
CID 79866155
1-cyclopropyl-N-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63913854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline (CID 62372829) is 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1CC1CCNC1.
What is the InChIKey of 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is KKJPIHUPRCPHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-6-7-14-4-2-3-5-15(14)17(12)11-13-8-9-16-10-13/h2-5,12-13,16H,6-11H2,1H3.
What are the key properties of 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 230.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 62372829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).