5-N-morpholin-4-ylquinoline-5,8-diamine

C13H16N4O — CID 83004132

IUPAC5-N-morpholin-4-ylquinoline-5,8-diamine
SMILESNc1ccc(NN2CCOCC2)c2cccnc12
InChIInChI=1S/C13H16N4O/c14-11-3-4-12(10-2-1-5-15-13(10)11)16-17-6-8-18-9-7-17/h1-5,16H,6-9,14H2
InChIKeyBXQMPDCIJLTRBW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.48
Rot. Bonds2

About 5-N-morpholin-4-ylquinoline-5,8-diamine

5-N-morpholin-4-ylquinoline-5,8-diamine (PubChem CID 83004132) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-N-morpholin-4-ylquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-morpholin-4-ylquinoline-5,8-diamine
PubChem CID83004132
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-N-morpholin-4-ylquinoline-5,8-diamine
SMILESNc1ccc(NN2CCOCC2)c2cccnc12
InChIInChI=1S/C13H16N4O/c14-11-3-4-12(10-2-1-5-15-13(10)11)16-17-6-8-18-9-7-17/h1-5,16H,6-9,14H2
InChIKeyBXQMPDCIJLTRBW-UHFFFAOYSA-N
XLogP1.48
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol
CID 81134784
5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine
CID 83004330
3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol
CID 106099436
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
5-N-(2,3-dihydro-1H-inden-2-yl)quinoline-5,8-diamine
CID 107844436
5-N-(2-cyclopropylpropyl)quinoline-5,8-diamine
CID 113474938
N-(3-chloro-2-pyridinyl)morpholin-4-amine
CID 83025582
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
5-N-(2-iodophenyl)quinoline-5,8-diamine
CID 43449502

Frequently Asked Questions

What is the IUPAC name of 5-N-morpholin-4-ylquinoline-5,8-diamine?
The IUPAC name of 5-N-morpholin-4-ylquinoline-5,8-diamine (CID 83004132) is 5-N-morpholin-4-ylquinoline-5,8-diamine.
What is the SMILES notation for 5-N-morpholin-4-ylquinoline-5,8-diamine?
The canonical SMILES for 5-N-morpholin-4-ylquinoline-5,8-diamine is Nc1ccc(NN2CCOCC2)c2cccnc12.
What is the InChIKey of 5-N-morpholin-4-ylquinoline-5,8-diamine?
The InChIKey is BXQMPDCIJLTRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11-3-4-12(10-2-1-5-15-13(10)11)16-17-6-8-18-9-7-17/h1-5,16H,6-9,14H2.
What are the key properties of 5-N-morpholin-4-ylquinoline-5,8-diamine?
5-N-morpholin-4-ylquinoline-5,8-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-morpholin-4-ylquinoline-5,8-diamine is sourced from PubChem (CID 83004132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).