2-(oxan-4-ylamino)quinoline-4-carbonitrile

C15H15N3O — CID 63885816

IUPAC2-(oxan-4-ylamino)quinoline-4-carbonitrile
SMILESN#Cc1cc(NC2CCOCC2)nc2ccccc12
InChIInChI=1S/C15H15N3O/c16-10-11-9-15(17-12-5-7-19-8-6-12)18-14-4-2-1-3-13(11)14/h1-4,9,12H,5-8H2,(H,17,18)
InChIKeyPVYYDEXXTUJFIL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.70
Rot. Bonds2

About 2-(oxan-4-ylamino)quinoline-4-carbonitrile

2-(oxan-4-ylamino)quinoline-4-carbonitrile (PubChem CID 63885816) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(oxan-4-ylamino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(oxan-4-ylamino)quinoline-4-carbonitrile
PubChem CID63885816
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(oxan-4-ylamino)quinoline-4-carbonitrile
SMILESN#Cc1cc(NC2CCOCC2)nc2ccccc12
InChIInChI=1S/C15H15N3O/c16-10-11-9-15(17-12-5-7-19-8-6-12)18-14-4-2-1-3-13(11)14/h1-4,9,12H,5-8H2,(H,17,18)
InChIKeyPVYYDEXXTUJFIL-UHFFFAOYSA-N
XLogP2.70
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylamino)quinoline-4-carbonitrile?
The IUPAC name of 2-(oxan-4-ylamino)quinoline-4-carbonitrile (CID 63885816) is 2-(oxan-4-ylamino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(oxan-4-ylamino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(oxan-4-ylamino)quinoline-4-carbonitrile is N#Cc1cc(NC2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-(oxan-4-ylamino)quinoline-4-carbonitrile?
The InChIKey is PVYYDEXXTUJFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-10-11-9-15(17-12-5-7-19-8-6-12)18-14-4-2-1-3-13(11)14/h1-4,9,12H,5-8H2,(H,17,18).
What are the key properties of 2-(oxan-4-ylamino)quinoline-4-carbonitrile?
2-(oxan-4-ylamino)quinoline-4-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylamino)quinoline-4-carbonitrile is sourced from PubChem (CID 63885816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).