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

C18H28ClN3O2 — CID 53422254

IUPAC1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride
SMILESCCCN(C)CC(C)(O)CNc1cc(OC)cc2cccnc12.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-5-9-21(3)13-18(2,22)12-20-16-11-15(23-4)10-14-7-6-8-19-17(14)16;/h6-8,10-11,20,22H,5,9,12-13H2,1-4H3;1H
InChIKeyWARDUALHUPWONL-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.17
Rot. Bonds8

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

1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride (PubChem CID 53422254) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride
PubChem CID53422254
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride
SMILESCCCN(C)CC(C)(O)CNc1cc(OC)cc2cccnc12.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-5-9-21(3)13-18(2,22)12-20-16-11-15(23-4)10-14-7-6-8-19-17(14)16;/h6-8,10-11,20,22H,5,9,12-13H2,1-4H3;1H
InChIKeyWARDUALHUPWONL-UHFFFAOYSA-N
XLogP3.17
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride
CID 53422323
1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-piperidin-1-ylpropan-2-ol;dihydrochloride
CID 76844980
N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
CID 44568394
N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride
CID 54603031
N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride
CID 131882377
N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride
CID 54605470
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 504257
N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine
CID 54132845
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
1-(2,6-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;hydrochloride
CID 54609379
2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
CID 5160911

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride (CID 53422254) is 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride is CCCN(C)CC(C)(O)CNc1cc(OC)cc2cccnc12.Cl.
What is the InChIKey of 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride?
The InChIKey is WARDUALHUPWONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-5-9-21(3)13-18(2,22)12-20-16-11-15(23-4)10-14-7-6-8-19-17(14)16;/h6-8,10-11,20,22H,5,9,12-13H2,1-4H3;1H.
What are the key properties of 1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride?
1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.17, 8 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-[methyl(propyl)amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 53422254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).