(2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

C27H24N4O2 — CID 89487886

IUPAC(2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CC2CN(c3cnc4ccccc4n3)CC(C1)O2
InChIInChI=1S/C27H24N4O2/c32-27(23-11-5-4-10-22(23)19-8-2-1-3-9-19)31-17-20-15-30(16-21(18-31)33-20)26-14-28-24-12-6-7-13-25(24)29-26/h1-14,20-21H,15-18H2
InChIKeyDUYIDBUPUAUPDM-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.03
Rot. Bonds3

About (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

(2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 89487886) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID89487886
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name(2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CC2CN(c3cnc4ccccc4n3)CC(C1)O2
InChIInChI=1S/C27H24N4O2/c32-27(23-11-5-4-10-22(23)19-8-2-1-3-9-19)31-17-20-15-30(16-21(18-31)33-20)26-14-28-24-12-6-7-13-25(24)29-26/h1-14,20-21H,15-18H2
InChIKeyDUYIDBUPUAUPDM-UHFFFAOYSA-N
XLogP4.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (CID 89487886) is (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3cnc4ccccc4n3)CC(C1)O2.
What is the InChIKey of (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is DUYIDBUPUAUPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-27(23-11-5-4-10-22(23)19-8-2-1-3-9-19)31-17-20-15-30(16-21(18-31)33-20)26-14-28-24-12-6-7-13-25(24)29-26/h1-14,20-21H,15-18H2.
What are the key properties of (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
(2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 436.52 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl)-(7-quinoxalin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 89487886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).