N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine

C21H25N3O — CID 6425210

IUPACN'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine
SMILESCCOc1c(NCCCNc2ccc(C)cc2)cnc2ccccc12
InChIInChI=1S/C21H25N3O/c1-3-25-21-18-7-4-5-8-19(18)24-15-20(21)23-14-6-13-22-17-11-9-16(2)10-12-17/h4-5,7-12,15,22-23H,3,6,13-14H2,1-2H3
InChIKeyZZVIKULUDFBACH-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.86
Rot. Bonds8

About N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine

N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine (PubChem CID 6425210) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine
PubChem CID6425210
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine
SMILESCCOc1c(NCCCNc2ccc(C)cc2)cnc2ccccc12
InChIInChI=1S/C21H25N3O/c1-3-25-21-18-7-4-5-8-19(18)24-15-20(21)23-14-6-13-22-17-11-9-16(2)10-12-17/h4-5,7-12,15,22-23H,3,6,13-14H2,1-2H3
InChIKeyZZVIKULUDFBACH-UHFFFAOYSA-N
XLogP4.86
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-methylsulfonylquinoline
CID 141129926
N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806850
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313
N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine
CID 6425207
4-methyl-N-octylaniline
CID 11816856
N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride
CID 68999918
1-[2-(4-methylanilino)ethyl]quinoxalin-2-one
CID 62564379
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54807142
4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline
CID 43757884
N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine (CID 6425210) is N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine is CCOc1c(NCCCNc2ccc(C)cc2)cnc2ccccc12.
What is the InChIKey of N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is ZZVIKULUDFBACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-25-21-18-7-4-5-8-19(18)24-15-20(21)23-14-6-13-22-17-11-9-16(2)10-12-17/h4-5,7-12,15,22-23H,3,6,13-14H2,1-2H3.
What are the key properties of N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine?
N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 335.45 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 6425210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).