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

C20H24ClN3O — CID 54603031

IUPACN'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride
SMILESCCN(CCNc1cc(OC)cc2cccnc12)c1ccccc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-3-23(17-9-5-4-6-10-17)13-12-21-19-15-18(24-2)14-16-8-7-11-22-20(16)19;/h4-11,14-15,21H,3,12-13H2,1-2H3;1H
InChIKeySSOIDOKSWRRZFS-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.60
Rot. Bonds7

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

N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride (PubChem CID 54603031) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride
PubChem CID54603031
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride
SMILESCCN(CCNc1cc(OC)cc2cccnc12)c1ccccc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-3-23(17-9-5-4-6-10-17)13-12-21-19-15-18(24-2)14-16-8-7-11-22-20(16)19;/h4-11,14-15,21H,3,12-13H2,1-2H3;1H
InChIKeySSOIDOKSWRRZFS-UHFFFAOYSA-N
XLogP4.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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'-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
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
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
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-(6-methoxyquinolin-8-yl)benzamide
CID 684962
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
1-[N'-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride
CID 54611977
dihydroxy(oxo)azanium;2-[3-[(6-methoxyquinolin-8-yl)amino]propyl]guanidine
CID 6331885

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride (CID 54603031) is N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride is CCN(CCNc1cc(OC)cc2cccnc12)c1ccccc1.Cl.
What is the InChIKey of N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride?
The InChIKey is SSOIDOKSWRRZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-3-23(17-9-5-4-6-10-17)13-12-21-19-15-18(24-2)14-16-8-7-11-22-20(16)19;/h4-11,14-15,21H,3,12-13H2,1-2H3;1H.
What are the key properties of N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride?
N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 4.60, 7 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'-phenylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 54603031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).