6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride

C22H26ClN3O2 — CID 2790754

IUPAC6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-3-27-19-8-9-21-20(15-19)22(14-16(2)23-21)24-17-4-6-18(7-5-17)25-10-12-26-13-11-25;/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,24);1H
InChIKeyUBUSIDKPMZOHCV-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.94
Rot. Bonds5

About 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride

6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride (PubChem CID 2790754) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride
PubChem CID2790754
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-3-27-19-8-9-21-20(15-19)22(14-16(2)23-21)24-17-4-6-18(7-5-17)25-10-12-26-13-11-25;/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,24);1H
InChIKeyUBUSIDKPMZOHCV-UHFFFAOYSA-N
XLogP4.94
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(+-)-Quinacrine
CID 237
Ethacridine
CID 2017
(R)-quinacrine
CID 446536
7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
CID 43640
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
CID 70685044
6-Ethoxy-2-methylquinoline
CID 81118
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
2-(4-methoxyphenyl)-N-(3-(piperidin-1-yl)propyl)quinolin-4-amine
CID 73050850
6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 1070294
3-((6-Methoxy-2-methylquinolin-4-yl)amino)phenol hydrochloride
CID 2790585

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
The IUPAC name of 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride (CID 2790754) is 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
The canonical SMILES for 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride is CCOc1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1.Cl.
What is the InChIKey of 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
The InChIKey is UBUSIDKPMZOHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.ClH/c1-3-27-19-8-9-21-20(15-19)22(14-16(2)23-21)24-17-4-6-18(7-5-17)25-10-12-26-13-11-25;/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,24);1H.
What are the key properties of 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 2790754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).