(4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone

C24H21Cl2N3O2 — CID 71450252

IUPAC(4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CCC2)c2ccccc21
InChIInChI=1S/C24H21Cl2N3O2/c25-16-8-9-19(26)23(14-16)31-22-10-11-27-15-18(22)24(30)29-13-12-28(17-4-3-5-17)20-6-1-2-7-21(20)29/h1-2,6-11,14-15,17H,3-5,12-13H2
InChIKeyMTODFZWWDNJEKP-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.20
Rot. Bonds4

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

(4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone (PubChem CID 71450252) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
PubChem CID71450252
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC Name(4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CCC2)c2ccccc21
InChIInChI=1S/C24H21Cl2N3O2/c25-16-8-9-19(26)23(14-16)31-22-10-11-27-15-18(22)24(30)29-13-12-28(17-4-3-5-17)20-6-1-2-7-21(20)29/h1-2,6-11,14-15,17H,3-5,12-13H2
InChIKeyMTODFZWWDNJEKP-UHFFFAOYSA-N
XLogP6.20
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 ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone (CID 71450252) is (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone is O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CCC2)c2ccccc21.
What is the InChIKey of (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
The InChIKey is MTODFZWWDNJEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c25-16-8-9-19(26)23(14-16)31-22-10-11-27-15-18(22)24(30)29-13-12-28(17-4-3-5-17)20-6-1-2-7-21(20)29/h1-2,6-11,14-15,17H,3-5,12-13H2.
What are the key properties of (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
(4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone has a molecular weight of 454.36 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 71450252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).