1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride

C19H29Cl2N3O2 — CID 76844980

IUPAC1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride
SMILESCOc1cc(NCC(C)(O)CN2CCCCC2)c2ncccc2c1.Cl.Cl
InChIInChI=1S/C19H27N3O2.2ClH/c1-19(23,14-22-9-4-3-5-10-22)13-21-17-12-16(24-2)11-15-7-6-8-20-18(15)17;;/h6-8,11-12,21,23H,3-5,9-10,13-14H2,1-2H3;2*1H
InChIKeyLNDOITUCTBHTAW-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.74
Rot. Bonds6

About 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride

1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride (PubChem CID 76844980) has the molecular formula C19H29Cl2N3O2 and a molecular weight of 402.37 g/mol. Its IUPAC name is 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride
PubChem CID76844980
Molecular FormulaC19H29Cl2N3O2
Molecular Weight402.37 g/mol
Exact Mass401.16
IUPAC Name1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride
SMILESCOc1cc(NCC(C)(O)CN2CCCCC2)c2ncccc2c1.Cl.Cl
InChIInChI=1S/C19H27N3O2.2ClH/c1-19(23,14-22-9-4-3-5-10-22)13-21-17-12-16(24-2)11-15-7-6-8-20-18(15)17;;/h6-8,11-12,21,23H,3-5,9-10,13-14H2,1-2H3;2*1H
InChIKeyLNDOITUCTBHTAW-UHFFFAOYSA-N
XLogP3.74
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride?
The IUPAC name of 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride (CID 76844980) is 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride?
The canonical SMILES for 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride is COc1cc(NCC(C)(O)CN2CCCCC2)c2ncccc2c1.Cl.Cl.
What is the InChIKey of 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride?
The InChIKey is LNDOITUCTBHTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.2ClH/c1-19(23,14-22-9-4-3-5-10-22)13-21-17-12-16(24-2)11-15-7-6-8-20-18(15)17;;/h6-8,11-12,21,23H,3-5,9-10,13-14H2,1-2H3;2*1H.
What are the key properties of 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride?
1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride has a molecular weight of 402.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride is sourced from PubChem (CID 76844980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).