7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine

C25H33N3O3 — CID 141057646

IUPAC7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine
SMILESCCOCCNCCCOc1cc2nccc(Nc3ccccc3CC)c2cc1OC
InChIInChI=1S/C25H33N3O3/c1-4-19-9-6-7-10-21(19)28-22-11-13-27-23-18-25(24(29-3)17-20(22)23)31-15-8-12-26-14-16-30-5-2/h6-7,9-11,13,17-18,26H,4-5,8,12,14-16H2,1-3H3,(H,27,28)
InChIKeySIYQMRBMWVRJDW-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.94
Rot. Bonds13

About 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine

7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine (PubChem CID 141057646) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine.

Molecular Properties

Compound Name7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine
PubChem CID141057646
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine
SMILESCCOCCNCCCOc1cc2nccc(Nc3ccccc3CC)c2cc1OC
InChIInChI=1S/C25H33N3O3/c1-4-19-9-6-7-10-21(19)28-22-11-13-27-23-18-25(24(29-3)17-20(22)23)31-15-8-12-26-14-16-30-5-2/h6-7,9-11,13,17-18,26H,4-5,8,12,14-16H2,1-3H3,(H,27,28)
InChIKeySIYQMRBMWVRJDW-UHFFFAOYSA-N
XLogP4.94
TPSA64.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol
CID 141057651
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
CID 10222250
N-(2-ethylphenyl)-6-fluoroquinolin-4-amine
CID 39850754
7-(3-aminopropoxy)-4-(2-ethylanilino)-6-methoxyquinoline-3-carboxamide
CID 10178758
3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 55093398
N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine
CID 141124589
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
CID 22170241
N-(1H-indol-4-yl)-6,7-dimethoxyquinolin-4-amine
CID 139921584
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
CID 22170196
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine?
The IUPAC name of 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine (CID 141057646) is 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine.
What is the SMILES notation for 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine?
The canonical SMILES for 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine is CCOCCNCCCOc1cc2nccc(Nc3ccccc3CC)c2cc1OC.
What is the InChIKey of 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine?
The InChIKey is SIYQMRBMWVRJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-4-19-9-6-7-10-21(19)28-22-11-13-27-23-18-25(24(29-3)17-20(22)23)31-15-8-12-26-14-16-30-5-2/h6-7,9-11,13,17-18,26H,4-5,8,12,14-16H2,1-3H3,(H,27,28).
What are the key properties of 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine?
7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine has a molecular weight of 423.56 g/mol, XLogP of 4.94, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-ethoxyethylamino)propoxy]-N-(2-ethylphenyl)-6-methoxyquinolin-4-amine is sourced from PubChem (CID 141057646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).