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

C20H24N2 — CID 4207738

IUPAC1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILESc1ccc(CN2CCC(N3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C20H24N2/c1-2-8-17(9-3-1)16-22-15-12-20(21-13-6-7-14-21)18-10-4-5-11-19(18)22/h1-5,8-11,20H,6-7,12-16H2
InChIKeyRRNJEKWZUWPJNO-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.23
Rot. Bonds3

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

1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline (PubChem CID 4207738) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
PubChem CID4207738
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILESc1ccc(CN2CCC(N3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C20H24N2/c1-2-8-17(9-3-1)16-22-15-12-20(21-13-6-7-14-21)18-10-4-5-11-19(18)22/h1-5,8-11,20H,6-7,12-16H2
InChIKeyRRNJEKWZUWPJNO-UHFFFAOYSA-N
XLogP4.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline (CID 4207738) is 1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline is c1ccc(CN2CCC(N3CCCC3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The InChIKey is RRNJEKWZUWPJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-8-17(9-3-1)16-22-15-12-20(21-13-6-7-14-21)18-10-4-5-11-19(18)22/h1-5,8-11,20H,6-7,12-16H2.
What are the key properties of 1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline has a molecular weight of 292.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 4207738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).