4-N-(oxan-3-yl)quinoline-4,8-diamine

C14H17N3O — CID 83060374

IUPAC4-N-(oxan-3-yl)quinoline-4,8-diamine
SMILESNc1cccc2c(NC3CCCOC3)ccnc12
InChIInChI=1S/C14H17N3O/c15-12-5-1-4-11-13(6-7-16-14(11)12)17-10-3-2-8-18-9-10/h1,4-7,10H,2-3,8-9,15H2,(H,16,17)
InChIKeyLXZUZLDSCKGAMS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.41
Rot. Bonds2

About 4-N-(oxan-3-yl)quinoline-4,8-diamine

4-N-(oxan-3-yl)quinoline-4,8-diamine (PubChem CID 83060374) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-(oxan-3-yl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(oxan-3-yl)quinoline-4,8-diamine
PubChem CID83060374
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-N-(oxan-3-yl)quinoline-4,8-diamine
SMILESNc1cccc2c(NC3CCCOC3)ccnc12
InChIInChI=1S/C14H17N3O/c15-12-5-1-4-11-13(6-7-16-14(11)12)17-10-3-2-8-18-9-10/h1,4-7,10H,2-3,8-9,15H2,(H,16,17)
InChIKeyLXZUZLDSCKGAMS-UHFFFAOYSA-N
XLogP2.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(oxan-3-yl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(oxan-3-yl)quinoline-4,8-diamine (CID 83060374) is 4-N-(oxan-3-yl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(oxan-3-yl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(oxan-3-yl)quinoline-4,8-diamine is Nc1cccc2c(NC3CCCOC3)ccnc12.
What is the InChIKey of 4-N-(oxan-3-yl)quinoline-4,8-diamine?
The InChIKey is LXZUZLDSCKGAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-12-5-1-4-11-13(6-7-16-14(11)12)17-10-3-2-8-18-9-10/h1,4-7,10H,2-3,8-9,15H2,(H,16,17).
What are the key properties of 4-N-(oxan-3-yl)quinoline-4,8-diamine?
4-N-(oxan-3-yl)quinoline-4,8-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxan-3-yl)quinoline-4,8-diamine is sourced from PubChem (CID 83060374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).