N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine

C21H25N3O3 — CID 167828097

IUPACN-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCOc1cc(NCCNc2cc(C)nc3c(OC)cccc23)cc(OC)c1
InChIInChI=1S/C21H25N3O3/c1-14-10-19(18-6-5-7-20(27-4)21(18)24-14)23-9-8-22-15-11-16(25-2)13-17(12-15)26-3/h5-7,10-13,22H,8-9H2,1-4H3,(H,23,24)
InChIKeyAJARDXILFIUCHM-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.09
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine

N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 167828097) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
PubChem CID167828097
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCOc1cc(NCCNc2cc(C)nc3c(OC)cccc23)cc(OC)c1
InChIInChI=1S/C21H25N3O3/c1-14-10-19(18-6-5-7-20(27-4)21(18)24-14)23-9-8-22-15-11-16(25-2)13-17(12-15)26-3/h5-7,10-13,22H,8-9H2,1-4H3,(H,23,24)
InChIKeyAJARDXILFIUCHM-UHFFFAOYSA-N
XLogP4.09
TPSA64.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine with MolForge

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Related Compounds

8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine
CID 167923022
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
CID 62198376
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369212

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine (CID 167828097) is N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine is COc1cc(NCCNc2cc(C)nc3c(OC)cccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is AJARDXILFIUCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-10-19(18-6-5-7-20(27-4)21(18)24-14)23-9-8-22-15-11-16(25-2)13-17(12-15)26-3/h5-7,10-13,22H,8-9H2,1-4H3,(H,23,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine?
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 367.45 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 167828097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).