4-(oxan-4-yloxy)quinoline-3-carboximidamide

C15H17N3O2 — CID 61287792

IUPAC4-(oxan-4-yloxy)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1OC1CCOCC1
InChIInChI=1S/C15H17N3O2/c16-15(17)12-9-18-13-4-2-1-3-11(13)14(12)20-10-5-7-19-8-6-10/h1-4,9-10H,5-8H2,(H3,16,17)
InChIKeyBGNSCOJCOZSGOL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.08
Rot. Bonds3

About 4-(oxan-4-yloxy)quinoline-3-carboximidamide

4-(oxan-4-yloxy)quinoline-3-carboximidamide (PubChem CID 61287792) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-(oxan-4-yloxy)quinoline-3-carboximidamide
PubChem CID61287792
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(oxan-4-yloxy)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1OC1CCOCC1
InChIInChI=1S/C15H17N3O2/c16-15(17)12-9-18-13-4-2-1-3-11(13)14(12)20-10-5-7-19-8-6-10/h1-4,9-10H,5-8H2,(H3,16,17)
InChIKeyBGNSCOJCOZSGOL-UHFFFAOYSA-N
XLogP2.08
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)quinoline-3-carboximidamide?
The IUPAC name of 4-(oxan-4-yloxy)quinoline-3-carboximidamide (CID 61287792) is 4-(oxan-4-yloxy)quinoline-3-carboximidamide.
What is the SMILES notation for 4-(oxan-4-yloxy)quinoline-3-carboximidamide?
The canonical SMILES for 4-(oxan-4-yloxy)quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1OC1CCOCC1.
What is the InChIKey of 4-(oxan-4-yloxy)quinoline-3-carboximidamide?
The InChIKey is BGNSCOJCOZSGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15(17)12-9-18-13-4-2-1-3-11(13)14(12)20-10-5-7-19-8-6-10/h1-4,9-10H,5-8H2,(H3,16,17).
What are the key properties of 4-(oxan-4-yloxy)quinoline-3-carboximidamide?
4-(oxan-4-yloxy)quinoline-3-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)quinoline-3-carboximidamide is sourced from PubChem (CID 61287792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).