1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride

C20H30ClN3O2 — CID 54609379

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride
SMILESCOc1cc(NCC(O)CN2C(C)CCCC2C)c2ncccc2c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-14-6-4-7-15(2)23(14)13-17(24)12-22-19-11-18(25-3)10-16-8-5-9-21-20(16)19;/h5,8-11,14-15,17,22,24H,4,6-7,12-13H2,1-3H3;1H
InChIKeySRQVAGCWRBCQGW-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.70
Rot. Bonds6

About 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride

1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride (PubChem CID 54609379) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride
PubChem CID54609379
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride
SMILESCOc1cc(NCC(O)CN2C(C)CCCC2C)c2ncccc2c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-14-6-4-7-15(2)23(14)13-17(24)12-22-19-11-18(25-3)10-16-8-5-9-21-20(16)19;/h5,8-11,14-15,17,22,24H,4,6-7,12-13H2,1-3H3;1H
InChIKeySRQVAGCWRBCQGW-UHFFFAOYSA-N
XLogP3.70
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride with MolForge

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Related Compounds

Primaquine
CID 4908
Sitamaquine
CID 42548
Primaquine Diphosphate
CID 6135
Quinocide
CID 68928
6-Methoxy-8-quinolinamine
CID 7023
(+)-Primaquine
CID 3044369
N1-(6-Methoxy-8-quinolinyl)-N5-(1-methylethyl)-1,5-pentanediamine
CID 21558
6-Methoxy-8-[(3-aminopropyl)amino]-4-methyl-5-(3-trifluoromethylphenyloxy)quinoline
CID 16048421
Pamaquine
CID 10290
(-)-Primaquine
CID 3044368
5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
Bulaquine
CID 9831444

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride (CID 54609379) is 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride is COc1cc(NCC(O)CN2C(C)CCCC2C)c2ncccc2c1.Cl.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride?
The InChIKey is SRQVAGCWRBCQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-14-6-4-7-15(2)23(14)13-17(24)12-22-19-11-18(25-3)10-16-8-5-9-21-20(16)19;/h5,8-11,14-15,17,22,24H,4,6-7,12-13H2,1-3H3;1H.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride?
1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 54609379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).