2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine

C23H27N3O — CID 11068428

IUPAC2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESCc1ccc(-c2cc(NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H27N3O/c1-18-7-9-19(10-8-18)22-17-23(20-5-2-3-6-21(20)25-22)24-11-4-12-26-13-15-27-16-14-26/h2-3,5-10,17H,4,11-16H2,1H3,(H,24,25)
InChIKeyKMEPZHHDOXXVGN-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.34
Rot. Bonds6

About 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine

2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine (PubChem CID 11068428) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
PubChem CID11068428
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESCc1ccc(-c2cc(NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H27N3O/c1-18-7-9-19(10-8-18)22-17-23(20-5-2-3-6-21(20)25-22)24-11-4-12-26-13-15-27-16-14-26/h2-3,5-10,17H,4,11-16H2,1H3,(H,24,25)
InChIKeyKMEPZHHDOXXVGN-UHFFFAOYSA-N
XLogP4.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dequalinium Chloride
CID 10649
Dequalinium
CID 2993
JP1302
CID 540335
Bis(7)-tacrine
CID 9549196
N-Methyl-9-acridinamine
CID 31503
9-Acridinamine, N-(phenylmethyl)-
CID 149800
2-Phenyl-4-(2-(4-piperidinyl)ethyl)quinoline
CID 71219
Quindecamine
CID 21943
Bis(3)-cognitin
CID 12069888
Dequalinium iodide
CID 121295
N4-9-Acridinyl-N1,N1-dimethyl-1,4-benzenediamine
CID 25926
N,N-Dimethyl-N'-(2-naphthalen-2-YL-quinolin-4-YL)-ethane-1, 2-diamine
CID 454715

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The IUPAC name of 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine (CID 11068428) is 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine is Cc1ccc(-c2cc(NCCCN3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The InChIKey is KMEPZHHDOXXVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-7-9-19(10-8-18)22-17-23(20-5-2-3-6-21(20)25-22)24-11-4-12-26-13-15-27-16-14-26/h2-3,5-10,17H,4,11-16H2,1H3,(H,24,25).
What are the key properties of 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 11068428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).