4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride

C21H30ClN3O2 — CID 22641400

IUPAC4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride
SMILESCc1cc(N2CCCC2)c2ccc(OCCCN3CCOCC3)cc2n1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-17-15-21(24-8-2-3-9-24)19-6-5-18(16-20(19)22-17)26-12-4-7-23-10-13-25-14-11-23;/h5-6,15-16H,2-4,7-14H2,1H3;1H
InChIKeyLXKIWLHQXRDFPK-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.67
Rot. Bonds6

About 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride

4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride (PubChem CID 22641400) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride
PubChem CID22641400
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride
SMILESCc1cc(N2CCCC2)c2ccc(OCCCN3CCOCC3)cc2n1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-17-15-21(24-8-2-3-9-24)19-6-5-18(16-20(19)22-17)26-12-4-7-23-10-13-25-14-11-23;/h5-6,15-16H,2-4,7-14H2,1H3;1H
InChIKeyLXKIWLHQXRDFPK-UHFFFAOYSA-N
XLogP3.67
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxymethyl]-2-pyridinyl]morpholine
CID 22641425
2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline
CID 22641435
2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride
CID 22641317
2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride
CID 22641473
4-[2-[2-(2-methylquinolin-7-yl)oxyethoxy]ethyl]morpholine
CID 145139266
2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline
CID 22641342
ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate
CID 69287154
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22054474
4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
CID 110434217
4-[1-(2-methylpropyl)-5-(3-morpholin-4-ylpropoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 59011565
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride (CID 22641400) is 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride is Cc1cc(N2CCCC2)c2ccc(OCCCN3CCOCC3)cc2n1.Cl.
What is the InChIKey of 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride?
The InChIKey is LXKIWLHQXRDFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c1-17-15-21(24-8-2-3-9-24)19-6-5-18(16-20(19)22-17)26-12-4-7-23-10-13-25-14-11-23;/h5-6,15-16H,2-4,7-14H2,1H3;1H.
What are the key properties of 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride?
4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride is sourced from PubChem (CID 22641400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).