1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline

C15H22N2 — CID 84793933

IUPAC1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cccc(CC3CCNC3)c21
InChIInChI=1S/C15H22N2/c1-17-9-3-6-13-4-2-5-14(15(13)17)10-12-7-8-16-11-12/h2,4-5,12,16H,3,6-11H2,1H3
InChIKeySSBYFORGNVGSBQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.22
Rot. Bonds2

About 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline

1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline (PubChem CID 84793933) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
PubChem CID84793933
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cccc(CC3CCNC3)c21
InChIInChI=1S/C15H22N2/c1-17-9-3-6-13-4-2-5-14(15(13)17)10-12-7-8-16-11-12/h2,4-5,12,16H,3,6-11H2,1H3
InChIKeySSBYFORGNVGSBQ-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 84793759
3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal
CID 117291918
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
2-methyl-3-(piperidin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 84640982
3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine
CID 84796476
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
CID 6336171
3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine
CID 117366081
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine
CID 117372199
3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
CID 84796479

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline (CID 84793933) is 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline is CN1CCCc2cccc(CC3CCNC3)c21.
What is the InChIKey of 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is SSBYFORGNVGSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-9-3-6-13-4-2-5-14(15(13)17)10-12-7-8-16-11-12/h2,4-5,12,16H,3,6-11H2,1H3.
What are the key properties of 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 230.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 84793933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).