N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine

C22H25N3O — CID 51086137

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine
SMILESc1cnc2c(CCNCc3ccc(N4CCOCC4)cc3)cccc2c1
InChIInChI=1S/C22H25N3O/c1-3-19-5-2-11-24-22(19)20(4-1)10-12-23-17-18-6-8-21(9-7-18)25-13-15-26-16-14-25/h1-9,11,23H,10,12-17H2
InChIKeyNLNHILVHZOBEDG-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.40
Rot. Bonds6

About N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine

N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine (PubChem CID 51086137) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine
PubChem CID51086137
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine
SMILESc1cnc2c(CCNCc3ccc(N4CCOCC4)cc3)cccc2c1
InChIInChI=1S/C22H25N3O/c1-3-19-5-2-11-24-22(19)20(4-1)10-12-23-17-18-6-8-21(9-7-18)25-13-15-26-16-14-25/h1-9,11,23H,10,12-17H2
InChIKeyNLNHILVHZOBEDG-UHFFFAOYSA-N
XLogP3.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 112727575
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine
CID 167841665
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 81426993
N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
CID 81428081
N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine
CID 81427887
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 60658076
(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine (CID 51086137) is N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine is c1cnc2c(CCNCc3ccc(N4CCOCC4)cc3)cccc2c1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine?
The InChIKey is NLNHILVHZOBEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-19-5-2-11-24-22(19)20(4-1)10-12-23-17-18-6-8-21(9-7-18)25-13-15-26-16-14-25/h1-9,11,23H,10,12-17H2.
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine?
N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine has a molecular weight of 347.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine is sourced from PubChem (CID 51086137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).