6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C22H19Cl2N3O2 — CID 71599403

IUPAC6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)cnc2N1
InChIInChI=1S/C22H19Cl2N3O2/c23-18-4-2-16(12-19(18)24)15-7-9-27(10-8-15)21(29)6-1-14-11-17-3-5-20(28)26-22(17)25-13-14/h1-2,4,6-7,11-13H,3,5,8-10H2,(H,25,26,28)/b6-1+
InChIKeyVFQCDXQXUWIHRO-LZCJLJQNSA-N
MW428.32 g/mol
LogP4.60
Rot. Bonds3

About 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71599403) has the molecular formula C22H19Cl2N3O2 and a molecular weight of 428.32 g/mol. Its IUPAC name is 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71599403
Molecular FormulaC22H19Cl2N3O2
Molecular Weight428.32 g/mol
Exact Mass427.09
IUPAC Name6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)cnc2N1
InChIInChI=1S/C22H19Cl2N3O2/c23-18-4-2-16(12-19(18)24)15-7-9-27(10-8-15)21(29)6-1-14-11-17-3-5-20(28)26-22(17)25-13-14/h1-2,4,6-7,11-13H,3,5,8-10H2,(H,25,26,28)/b6-1+
InChIKeyVFQCDXQXUWIHRO-LZCJLJQNSA-N
XLogP4.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one 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 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71599403) is 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)cnc2N1.
What is the InChIKey of 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is VFQCDXQXUWIHRO-LZCJLJQNSA-N. The full InChI is InChI=1S/C22H19Cl2N3O2/c23-18-4-2-16(12-19(18)24)15-7-9-27(10-8-15)21(29)6-1-14-11-17-3-5-20(28)26-22(17)25-13-14/h1-2,4,6-7,11-13H,3,5,8-10H2,(H,25,26,28)/b6-1+.
What are the key properties of 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 428.32 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71599403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).