4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine

C15H19N3O — CID 83060583

IUPAC4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine
SMILESCC(Nc1ccnc2c(N)cccc12)C1CCCO1
InChIInChI=1S/C15H19N3O/c1-10(14-6-3-9-19-14)18-13-7-8-17-15-11(13)4-2-5-12(15)16/h2,4-5,7-8,10,14H,3,6,9,16H2,1H3,(H,17,18)
InChIKeyHOQNUYSYYJWIBX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.80
Rot. Bonds3

About 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine

4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine (PubChem CID 83060583) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine
PubChem CID83060583
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine
SMILESCC(Nc1ccnc2c(N)cccc12)C1CCCO1
InChIInChI=1S/C15H19N3O/c1-10(14-6-3-9-19-14)18-13-7-8-17-15-11(13)4-2-5-12(15)16/h2,4-5,7-8,10,14H,3,6,9,16H2,1H3,(H,17,18)
InChIKeyHOQNUYSYYJWIBX-UHFFFAOYSA-N
XLogP2.80
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine
CID 93103324
3-chloro-2-N-[1-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 43533841
4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
CID 83066033
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine
CID 83065720
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine
CID 83061179
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine
CID 82236284
N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 133290907
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80780771
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine
CID 83065833

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine (CID 83060583) is 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine is CC(Nc1ccnc2c(N)cccc12)C1CCCO1.
What is the InChIKey of 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine?
The InChIKey is HOQNUYSYYJWIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(14-6-3-9-19-14)18-13-7-8-17-15-11(13)4-2-5-12(15)16/h2,4-5,7-8,10,14H,3,6,9,16H2,1H3,(H,17,18).
What are the key properties of 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine?
4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine is sourced from PubChem (CID 83060583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).