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

C18H28ClN3O — CID 54605470

IUPACN'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride
SMILESCCN(CCNc1cc(OC)cc2cccnc12)CC(C)C.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-5-21(13-14(2)3)10-9-19-17-12-16(22-4)11-15-7-6-8-20-18(15)17;/h6-8,11-12,14,19H,5,9-10,13H2,1-4H3;1H
InChIKeySXDGSNASYFGBCN-UHFFFAOYSA-N
MW337.90 g/mol
LogP4.05
Rot. Bonds8

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

N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride (PubChem CID 54605470) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride
PubChem CID54605470
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC NameN'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride
SMILESCCN(CCNc1cc(OC)cc2cccnc12)CC(C)C.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-5-21(13-14(2)3)10-9-19-17-12-16(22-4)11-15-7-6-8-20-18(15)17;/h6-8,11-12,14,19H,5,9-10,13H2,1-4H3;1H
InChIKeySXDGSNASYFGBCN-UHFFFAOYSA-N
XLogP4.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride
CID 131882377
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
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
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
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
CID 5160911
1-[bis(prop-2-enyl)amino]-3-[(6-methoxyquinolin-8-yl)amino]-2-methylpropan-2-ol;hydrochloride
CID 53422323
dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 6332174

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride (CID 54605470) is N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride is CCN(CCNc1cc(OC)cc2cccnc12)CC(C)C.Cl.
What is the InChIKey of N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is SXDGSNASYFGBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c1-5-21(13-14(2)3)10-9-19-17-12-16(22-4)11-15-7-6-8-20-18(15)17;/h6-8,11-12,14,19H,5,9-10,13H2,1-4H3;1H.
What are the key properties of N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride?
N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 337.90 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 54605470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).