7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline

C16H24N2 — CID 113417684

IUPAC7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCN(c2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C16H24N2/c1-2-4-13-8-10-18(12-13)15-7-6-14-5-3-9-17-16(14)11-15/h6-7,11,13,17H,2-5,8-10,12H2,1H3
InChIKeyBUBMLINTRQBBBG-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.67
Rot. Bonds3

About 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline

7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 113417684) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID113417684
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCN(c2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C16H24N2/c1-2-4-13-8-10-18(12-13)15-7-6-14-5-3-9-17-16(14)11-15/h6-7,11,13,17H,2-5,8-10,12H2,1H3
InChIKeyBUBMLINTRQBBBG-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215017
7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215314
7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214534
2-methyl-4-(1,2,3,4-tetrahydroquinolin-7-yl)morpholine
CID 81214763
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215477
2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81218537
[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol
CID 64863294
2-amino-5-(3-propylpyrrolidin-1-yl)benzonitrile
CID 113416873
1-[4-(1,2,3,4-tetrahydroquinolin-7-yl)-1,4-diazepan-1-yl]ethanone
CID 81215154
7-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224686
1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
CID 10445709

Frequently Asked Questions

What is the IUPAC name of 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 113417684) is 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline is CCCC1CCN(c2ccc3c(c2)NCCC3)C1.
What is the InChIKey of 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is BUBMLINTRQBBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-4-13-8-10-18(12-13)15-7-6-14-5-3-9-17-16(14)11-15/h6-7,11,13,17H,2-5,8-10,12H2,1H3.
What are the key properties of 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline?
7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 244.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 113417684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).