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

C21H24ClN3O2 — CID 2790584

IUPAC6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride
SMILESCOc1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1.Cl
InChIInChI=1S/C21H23N3O2.ClH/c1-15-13-21(19-14-18(25-2)7-8-20(19)22-15)23-16-3-5-17(6-4-16)24-9-11-26-12-10-24;/h3-8,13-14H,9-12H2,1-2H3,(H,22,23);1H
InChIKeyAOLWGWFOTMKZOC-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.55
Rot. Bonds4

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

6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride (PubChem CID 2790584) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride
PubChem CID2790584
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride
SMILESCOc1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1.Cl
InChIInChI=1S/C21H23N3O2.ClH/c1-15-13-21(19-14-18(25-2)7-8-20(19)22-15)23-16-3-5-17(6-4-16)24-9-11-26-12-10-24;/h3-8,13-14H,9-12H2,1-2H3,(H,22,23);1H
InChIKeyAOLWGWFOTMKZOC-UHFFFAOYSA-N
XLogP4.55
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.55
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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
The IUPAC name of 6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride (CID 2790584) is 6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for 6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
The canonical SMILES for 6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride is COc1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1.Cl.
What is the InChIKey of 6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
The InChIKey is AOLWGWFOTMKZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.ClH/c1-15-13-21(19-14-18(25-2)7-8-20(19)22-15)23-16-3-5-17(6-4-16)24-9-11-26-12-10-24;/h3-8,13-14H,9-12H2,1-2H3,(H,22,23);1H.
What are the key properties of 6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 2790584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).