N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide

C15H15N3O2 — CID 155955412

IUPACN-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C12COC(CN1)C2
InChIInChI=1S/C15H15N3O2/c19-14(15-7-12(8-17-15)20-9-15)18-11-3-4-13-10(6-11)2-1-5-16-13/h1-6,12,17H,7-9H2,(H,18,19)
InChIKeyYYWJKYGICZLUEH-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.30
Rot. Bonds2

About N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide

N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide (PubChem CID 155955412) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide.

Molecular Properties

Compound NameN-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide
PubChem CID155955412
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C12COC(CN1)C2
InChIInChI=1S/C15H15N3O2/c19-14(15-7-12(8-17-15)20-9-15)18-11-3-4-13-10(6-11)2-1-5-16-13/h1-6,12,17H,7-9H2,(H,18,19)
InChIKeyYYWJKYGICZLUEH-UHFFFAOYSA-N
XLogP1.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide?
The IUPAC name of N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide (CID 155955412) is N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide.
What is the SMILES notation for N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide?
The canonical SMILES for N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide is O=C(Nc1ccc2ncccc2c1)C12COC(CN1)C2.
What is the InChIKey of N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide?
The InChIKey is YYWJKYGICZLUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14(15-7-12(8-17-15)20-9-15)18-11-3-4-13-10(6-11)2-1-5-16-13/h1-6,12,17H,7-9H2,(H,18,19).
What are the key properties of N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide?
N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-6-yl-2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxamide is sourced from PubChem (CID 155955412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).