1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline

C15H22N2 — CID 4252433

IUPAC1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILESCCN1CCC(N2CCCC2)c2ccccc21
InChIInChI=1S/C15H22N2/c1-2-16-12-9-15(17-10-5-6-11-17)13-7-3-4-8-14(13)16/h3-4,7-8,15H,2,5-6,9-12H2,1H3
InChIKeyCVOROLPQXZNRAX-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.05
Rot. Bonds2

About 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline

1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline (PubChem CID 4252433) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
PubChem CID4252433
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILESCCN1CCC(N2CCCC2)c2ccccc21
InChIInChI=1S/C15H22N2/c1-2-16-12-9-15(17-10-5-6-11-17)13-7-3-4-8-14(13)16/h3-4,7-8,15H,2,5-6,9-12H2,1H3
InChIKeyCVOROLPQXZNRAX-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline (CID 4252433) is 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline is CCN1CCC(N2CCCC2)c2ccccc21.
What is the InChIKey of 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The InChIKey is CVOROLPQXZNRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-16-12-9-15(17-10-5-6-11-17)13-7-3-4-8-14(13)16/h3-4,7-8,15H,2,5-6,9-12H2,1H3.
What are the key properties of 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline has a molecular weight of 230.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 4252433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).