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

C24H23N3O2 — CID 71457418

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone
SMILESCc1ccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1
InChIInChI=1S/C24H23N3O2/c1-17-6-10-19(11-7-17)29-23-12-13-25-16-20(23)24(28)27-15-14-26(18-8-9-18)21-4-2-3-5-22(21)27/h2-7,10-13,16,18H,8-9,14-15H2,1H3
InChIKeyIVICXKCESGCPLP-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.81
Rot. Bonds4

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone (PubChem CID 71457418) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone
PubChem CID71457418
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone
SMILESCc1ccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1
InChIInChI=1S/C24H23N3O2/c1-17-6-10-19(11-7-17)29-23-12-13-25-16-20(23)24(28)27-15-14-26(18-8-9-18)21-4-2-3-5-22(21)27/h2-7,10-13,16,18H,8-9,14-15H2,1H3
InChIKeyIVICXKCESGCPLP-UHFFFAOYSA-N
XLogP4.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.81
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-(4-methylphenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone (CID 71457418) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone is Cc1ccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone?
The InChIKey is IVICXKCESGCPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-6-10-19(11-7-17)29-23-12-13-25-16-20(23)24(28)27-15-14-26(18-8-9-18)21-4-2-3-5-22(21)27/h2-7,10-13,16,18H,8-9,14-15H2,1H3.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone has a molecular weight of 385.47 g/mol, XLogP of 4.81, 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-(4-methylphenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 71457418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).