(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone

C23H21N3O2 — CID 71452075

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Oc1ccccc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H21N3O2/c27-23(19-16-24-13-12-22(19)28-18-6-2-1-3-7-18)26-15-14-25(17-10-11-17)20-8-4-5-9-21(20)26/h1-9,12-13,16-17H,10-11,14-15H2
InChIKeyXMOWMTQPHWWPJS-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.50
Rot. Bonds4

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone (PubChem CID 71452075) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone
PubChem CID71452075
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Oc1ccccc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H21N3O2/c27-23(19-16-24-13-12-22(19)28-18-6-2-1-3-7-18)26-15-14-25(17-10-11-17)20-8-4-5-9-21(20)26/h1-9,12-13,16-17H,10-11,14-15H2
InChIKeyXMOWMTQPHWWPJS-UHFFFAOYSA-N
XLogP4.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone (CID 71452075) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone is O=C(c1cnccc1Oc1ccccc1)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone?
The InChIKey is XMOWMTQPHWWPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23(19-16-24-13-12-22(19)28-18-6-2-1-3-7-18)26-15-14-25(17-10-11-17)20-8-4-5-9-21(20)26/h1-9,12-13,16-17H,10-11,14-15H2.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone has a molecular weight of 371.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone is sourced from PubChem (CID 71452075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).