2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride

C17H23Cl2N3O — CID 11302721

IUPAC2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
SMILESCOc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-21-15-5-6-16-13(12-15)2-7-17(18-16)20-10-8-19(9-11-20)14-3-4-14;;/h2,5-7,12,14H,3-4,8-11H2,1H3;2*1H
InChIKeyMLWHYJIDAHFGLY-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.37
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride

2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride (PubChem CID 11302721) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
PubChem CID11302721
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
SMILESCOc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-21-15-5-6-16-13(12-15)2-7-17(18-16)20-10-8-19(9-11-20)14-3-4-14;;/h2,5-7,12,14H,3-4,8-11H2,1H3;2*1H
InChIKeyMLWHYJIDAHFGLY-UHFFFAOYSA-N
XLogP3.37
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride
CID 68860037
N-cyclobutyl-2-[1-(6-methoxyquinolin-2-yl)piperidin-4-yl]acetamide
CID 172881536
2-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315183
N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide
CID 163354804
N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide
CID 171328605
1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride
CID 175654296
6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline
CID 163352569
2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
CID 70742061
1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
CID 58547168
2-(4-methoxypiperidin-1-yl)quinolin-6-amine
CID 43451016

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride (CID 11302721) is 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride is COc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1.Cl.Cl.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride?
The InChIKey is MLWHYJIDAHFGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-21-15-5-6-16-13(12-15)2-7-17(18-16)20-10-8-19(9-11-20)14-3-4-14;;/h2,5-7,12,14H,3-4,8-11H2,1H3;2*1H.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride?
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride is sourced from PubChem (CID 11302721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).