(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

Name: (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₂N₂O₃ — CID 103533053

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

SMILESCOC1CN(C(=O)C2CCNc3ccccc32)CC1OC

InChIInChI=1S/C16H22N2O3/c1-20-14-9-18(10-15(14)21-2)16(19)12-7-8-17-13-6-4-3-5-11(12)13/h3-6,12,14-15,17H,7-10H2,1-2H3

InChIKeyZYWHCJQTNQUJSK-UHFFFAOYSA-N

MW290.36 g/mol

LogP1.46

Rot. Bonds3

About (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 103533053) has the molecular formula C₁₆H₂₂N₂O₃ and a molecular weight of 290.36 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name	(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID	103533053
Molecular Formula	C₁₆H₂₂N₂O₃
Molecular Weight	290.36 g/mol
Exact Mass	290.16
IUPAC Name	(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILES	COC1CN(C(=O)C2CCNc3ccccc32)CC1OC
InChI	InChI=1S/C16H22N2O3/c1-20-14-9-18(10-15(14)21-2)16(19)12-7-8-17-13-6-4-3-5-11(12)13/h3-6,12,14-15,17H,7-10H2,1-2H3
InChIKey	ZYWHCJQTNQUJSK-UHFFFAOYSA-N
XLogP	1.46
TPSA	50.80 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.36
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?

The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 103533053) is (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?

The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is COC1CN(C(=O)C2CCNc3ccccc32)CC1OC.

What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?

The InChIKey is ZYWHCJQTNQUJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-14-9-18(10-15(14)21-2)16(19)12-7-8-17-13-6-4-3-5-11(12)13/h3-6,12,14-15,17H,7-10H2,1-2H3.

What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?

(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 290.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 103533053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103533053 — identifiers, structure, computed properties (public domain)

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