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

C16H24N2 — CID 82085595

IUPAC1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CCCN1CCCC1
InChIInChI=1S/C16H24N2/c1-2-9-16-15(7-1)8-5-13-18(16)14-6-12-17-10-3-4-11-17/h1-2,7,9H,3-6,8,10-14H2
InChIKeyBBDBMUHQTHTKBT-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.93
Rot. Bonds4

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

1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline (PubChem CID 82085595) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
PubChem CID82085595
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CCCN1CCCC1
InChIInChI=1S/C16H24N2/c1-2-9-16-15(7-1)8-5-13-18(16)14-6-12-17-10-3-4-11-17/h1-2,7,9H,3-6,8,10-14H2
InChIKeyBBDBMUHQTHTKBT-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
CID 28808284
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
1-(3-isocyanopropyl)-3,4-dihydro-2H-quinoline
CID 118704588
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline (CID 82085595) is 1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2CCCN1CCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline?
The InChIKey is BBDBMUHQTHTKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-9-16-15(7-1)8-5-13-18(16)14-6-12-17-10-3-4-11-17/h1-2,7,9H,3-6,8,10-14H2.
What are the key properties of 1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline?
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline has a molecular weight of 244.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 82085595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).