[4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone

C23H20ClN3O2 — CID 71459273

IUPAC[4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESO=C(c1cnccc1Oc1ccccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H20ClN3O2/c24-18-5-1-4-8-22(18)29-21-11-12-25-15-17(21)23(28)27-14-13-26(16-9-10-16)19-6-2-3-7-20(19)27/h1-8,11-12,15-16H,9-10,13-14H2
InChIKeyPGFKZJYQQKOPSQ-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.16
Rot. Bonds4

About [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone

[4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 71459273) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID71459273
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name[4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESO=C(c1cnccc1Oc1ccccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H20ClN3O2/c24-18-5-1-4-8-22(18)29-21-11-12-25-15-17(21)23(28)27-14-13-26(16-9-10-16)19-6-2-3-7-20(19)27/h1-8,11-12,15-16H,9-10,13-14H2
InChIKeyPGFKZJYQQKOPSQ-UHFFFAOYSA-N
XLogP5.16
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 71459273) is [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone is O=C(c1cnccc1Oc1ccccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is PGFKZJYQQKOPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-18-5-1-4-8-22(18)29-21-11-12-25-15-17(21)23(28)27-14-13-26(16-9-10-16)19-6-2-3-7-20(19)27/h1-8,11-12,15-16H,9-10,13-14H2.
What are the key properties of [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
[4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 405.89 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 71459273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).