4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline

C21H22N2O2 — CID 56840760

IUPAC4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline
SMILESCOc1ccc(C2CCN(c3ccnc4ccccc34)C2)cc1OC
InChIInChI=1S/C21H22N2O2/c1-24-20-8-7-15(13-21(20)25-2)16-10-12-23(14-16)19-9-11-22-18-6-4-3-5-17(18)19/h3-9,11,13,16H,10,12,14H2,1-2H3
InChIKeySWHLGEWNBOWLHP-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.25
Rot. Bonds4

About 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline

4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline (PubChem CID 56840760) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline
PubChem CID56840760
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline
SMILESCOc1ccc(C2CCN(c3ccnc4ccccc34)C2)cc1OC
InChIInChI=1S/C21H22N2O2/c1-24-20-8-7-15(13-21(20)25-2)16-10-12-23(14-16)19-9-11-22-18-6-4-3-5-17(18)19/h3-9,11,13,16H,10,12,14H2,1-2H3
InChIKeySWHLGEWNBOWLHP-UHFFFAOYSA-N
XLogP4.25
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline (CID 56840760) is 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline is COc1ccc(C2CCN(c3ccnc4ccccc34)C2)cc1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline?
The InChIKey is SWHLGEWNBOWLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-24-20-8-7-15(13-21(20)25-2)16-10-12-23(14-16)19-9-11-22-18-6-4-3-5-17(18)19/h3-9,11,13,16H,10,12,14H2,1-2H3.
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline?
4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline has a molecular weight of 334.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 56840760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).