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

C24H21Cl2N3O2 — CID 71462787

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone
SMILESCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C24H21Cl2N3O2/c1-15-12-19(26)23(13-18(15)25)31-22-8-9-27-14-17(22)24(30)29-11-10-28(16-6-7-16)20-4-2-3-5-21(20)29/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3
InChIKeyWLHPQSGIRLTJGX-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.12
Rot. Bonds4

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone (PubChem CID 71462787) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone
PubChem CID71462787
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone
SMILESCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C24H21Cl2N3O2/c1-15-12-19(26)23(13-18(15)25)31-22-8-9-27-14-17(22)24(30)29-11-10-28(16-6-7-16)20-4-2-3-5-21(20)29/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3
InChIKeyWLHPQSGIRLTJGX-UHFFFAOYSA-N
XLogP6.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-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-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone (CID 71462787) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone is Cc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone?
The InChIKey is WLHPQSGIRLTJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c1-15-12-19(26)23(13-18(15)25)31-22-8-9-27-14-17(22)24(30)29-11-10-28(16-6-7-16)20-4-2-3-5-21(20)29/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone has a molecular weight of 454.36 g/mol, XLogP of 6.12, 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-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 71462787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).