2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride

C20H22ClN3O — CID 22641317

IUPAC2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCCC2)c2ccc(OCc3ccncc3)cc2n1.Cl
InChIInChI=1S/C20H21N3O.ClH/c1-15-12-20(23-10-2-3-11-23)18-5-4-17(13-19(18)22-15)24-14-16-6-8-21-9-7-16;/h4-9,12-13H,2-3,10-11,14H2,1H3;1H
InChIKeyIVPPATKHNYNGQR-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.54
Rot. Bonds4

About 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride

2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride (PubChem CID 22641317) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride
PubChem CID22641317
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCCC2)c2ccc(OCc3ccncc3)cc2n1.Cl
InChIInChI=1S/C20H21N3O.ClH/c1-15-12-20(23-10-2-3-11-23)18-5-4-17(13-19(18)22-15)24-14-16-6-8-21-9-7-16;/h4-9,12-13H,2-3,10-11,14H2,1H3;1H
InChIKeyIVPPATKHNYNGQR-UHFFFAOYSA-N
XLogP4.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride?
The IUPAC name of 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride (CID 22641317) is 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride?
The canonical SMILES for 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride is Cc1cc(N2CCCC2)c2ccc(OCc3ccncc3)cc2n1.Cl.
What is the InChIKey of 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride?
The InChIKey is IVPPATKHNYNGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.ClH/c1-15-12-20(23-10-2-3-11-23)18-5-4-17(13-19(18)22-15)24-14-16-6-8-21-9-7-16;/h4-9,12-13H,2-3,10-11,14H2,1H3;1H.
What are the key properties of 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride?
2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 22641317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).