5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine

C16H22N4O — CID 43449552

IUPAC5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCCN2CCOCC2)c2cccnc12
InChIInChI=1S/C16H22N4O/c17-14-4-5-15(13-3-1-6-19-16(13)14)18-7-2-8-20-9-11-21-12-10-20/h1,3-6,18H,2,7-12,17H2
InChIKeyABPXZEZLHKWWKN-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds5

About 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine

5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine (PubChem CID 43449552) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
PubChem CID43449552
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCCN2CCOCC2)c2cccnc12
InChIInChI=1S/C16H22N4O/c17-14-4-5-15(13-3-1-6-19-16(13)14)18-7-2-8-20-9-11-21-12-10-20/h1,3-6,18H,2,7-12,17H2
InChIKeyABPXZEZLHKWWKN-UHFFFAOYSA-N
XLogP1.95
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
5-N-morpholin-4-ylquinoline-5,8-diamine
CID 83004132
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol
CID 81134784
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 14417721
3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol
CID 106099436
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
3-methyl-5-N-(2-morpholin-4-ylethyl)isoquinoline-5,8-diamine
CID 102712947
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine (CID 43449552) is 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine is Nc1ccc(NCCCN2CCOCC2)c2cccnc12.
What is the InChIKey of 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine?
The InChIKey is ABPXZEZLHKWWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-14-4-5-15(13-3-1-6-19-16(13)14)18-7-2-8-20-9-11-21-12-10-20/h1,3-6,18H,2,7-12,17H2.
What are the key properties of 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine?
5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine has a molecular weight of 286.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine is sourced from PubChem (CID 43449552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).