N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride

C18H29Cl2N3O — CID 131882377

IUPACN'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride
SMILESCCC(C)N(CC)CCNc1cc(OC)cc2cccnc12.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-5-14(3)21(6-2)11-10-19-17-13-16(22-4)12-15-8-7-9-20-18(15)17;;/h7-9,12-14,19H,5-6,10-11H2,1-4H3;2*1H
InChIKeyOIENUYAGULHJGD-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.62
Rot. Bonds8

About N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride

N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 131882377) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID131882377
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC NameN'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride
SMILESCCC(C)N(CC)CCNc1cc(OC)cc2cccnc12.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-5-14(3)21(6-2)11-10-19-17-13-16(22-4)12-15-8-7-9-20-18(15)17;;/h7-9,12-14,19H,5-6,10-11H2,1-4H3;2*1H
InChIKeyOIENUYAGULHJGD-UHFFFAOYSA-N
XLogP4.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride
CID 54605470
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
2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 504257
1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride
CID 53422254
1-[N'-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride
CID 54611977
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
CID 5160911
dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 6332174
N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride (CID 131882377) is N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride is CCC(C)N(CC)CCNc1cc(OC)cc2cccnc12.Cl.Cl.
What is the InChIKey of N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is OIENUYAGULHJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c1-5-14(3)21(6-2)11-10-19-17-13-16(22-4)12-15-8-7-9-20-18(15)17;;/h7-9,12-14,19H,5-6,10-11H2,1-4H3;2*1H.
What are the key properties of N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride?
N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 131882377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).