1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride

C18H18Cl3N3O — CID 18433113

IUPAC1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride
SMILESCl.NCC(O)CNc1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H17Cl2N3O.ClH/c19-14-6-5-11(7-15(14)20)17-8-18(22-10-12(24)9-21)13-3-1-2-4-16(13)23-17;/h1-8,12,24H,9-10,21H2,(H,22,23);1H
InChIKeyACAYCBQAZOXHGG-UHFFFAOYSA-N
MW398.72 g/mol
LogP4.36
Rot. Bonds5

About 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride

1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride (PubChem CID 18433113) has the molecular formula C18H18Cl3N3O and a molecular weight of 398.72 g/mol. Its IUPAC name is 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride
PubChem CID18433113
Molecular FormulaC18H18Cl3N3O
Molecular Weight398.72 g/mol
Exact Mass397.05
IUPAC Name1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride
SMILESCl.NCC(O)CNc1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H17Cl2N3O.ClH/c19-14-6-5-11(7-15(14)20)17-8-18(22-10-12(24)9-21)13-3-1-2-4-16(13)23-17;/h1-8,12,24H,9-10,21H2,(H,22,23);1H
InChIKeyACAYCBQAZOXHGG-UHFFFAOYSA-N
XLogP4.36
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.72
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol
CID 18432982
3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
CID 18433090
2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
CID 18432992
1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol
CID 139882552
3-[[2-(1-benzothiophen-2-yl)quinolin-4-yl]amino]propane-1,2-diol
CID 18432930
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623
3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
CID 90459061
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride (CID 18433113) is 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride is Cl.NCC(O)CNc1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride?
The InChIKey is ACAYCBQAZOXHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O.ClH/c19-14-6-5-11(7-15(14)20)17-8-18(22-10-12(24)9-21)13-3-1-2-4-16(13)23-17;/h1-8,12,24H,9-10,21H2,(H,22,23);1H.
What are the key properties of 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride?
1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride has a molecular weight of 398.72 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[2-(3,4-dichlorophenyl)quinolin-4-yl]amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 18433113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).