(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone

C26H27N3O2 — CID 71462786

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone
SMILESCc1cc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1C
InChIInChI=1S/C26H27N3O2/c1-17-14-19(3)25(15-18(17)2)31-24-10-11-27-16-21(24)26(30)29-13-12-28(20-8-9-20)22-6-4-5-7-23(22)29/h4-7,10-11,14-16,20H,8-9,12-13H2,1-3H3
InChIKeyZQVTVBLIJQMUIL-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.43
Rot. Bonds4

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone (PubChem CID 71462786) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone
PubChem CID71462786
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone
SMILESCc1cc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1C
InChIInChI=1S/C26H27N3O2/c1-17-14-19(3)25(15-18(17)2)31-24-10-11-27-16-21(24)26(30)29-13-12-28(20-8-9-20)22-6-4-5-7-23(22)29/h4-7,10-11,14-16,20H,8-9,12-13H2,1-3H3
InChIKeyZQVTVBLIJQMUIL-UHFFFAOYSA-N
XLogP5.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone (CID 71462786) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone is Cc1cc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1C.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone?
The InChIKey is ZQVTVBLIJQMUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17-14-19(3)25(15-18(17)2)31-24-10-11-27-16-21(24)26(30)29-13-12-28(20-8-9-20)22-6-4-5-7-23(22)29/h4-7,10-11,14-16,20H,8-9,12-13H2,1-3H3.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone has a molecular weight of 413.52 g/mol, XLogP of 5.43, 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-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 71462786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).