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

C16H22N2O3 — CID 103533053

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 CID103533053
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(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
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).