[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C21H16Cl2N2O2 — CID 53311781

IUPAC[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C21H16Cl2N2O2/c22-15-7-8-17(23)20(12-15)27-19-9-10-24-13-16(19)21(26)25-11-3-5-14-4-1-2-6-18(14)25/h1-2,4,6-10,12-13H,3,5,11H2
InChIKeyHHJXDGCDWSETDB-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.77
Rot. Bonds3

About [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 53311781) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID53311781
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C21H16Cl2N2O2/c22-15-7-8-17(23)20(12-15)27-19-9-10-24-13-16(19)21(26)25-11-3-5-14-4-1-2-6-18(14)25/h1-2,4,6-10,12-13H,3,5,11H2
InChIKeyHHJXDGCDWSETDB-UHFFFAOYSA-N
XLogP5.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)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-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 53311781) is [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21.
What is the InChIKey of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HHJXDGCDWSETDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-15-7-8-17(23)20(12-15)27-19-9-10-24-13-16(19)21(26)25-11-3-5-14-4-1-2-6-18(14)25/h1-2,4,6-10,12-13H,3,5,11H2.
What are the key properties of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 399.28 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 53311781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).