3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one

C24H30Cl2N4O — CID 5328706

IUPAC3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C24H30Cl2N4O/c1-4-30(5-2)13-8-6-7-12-27-22-15-21-17(16-28-22)14-18(24(31)29(21)3)23-19(25)10-9-11-20(23)26/h9-11,14-16H,4-8,12-13H2,1-3H3,(H,27,28)
InChIKeyYRRHAVKHTFWTLV-UHFFFAOYSA-N
MW461.44 g/mol
LogP5.83
Rot. Bonds10

About 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one (PubChem CID 5328706) has the molecular formula C24H30Cl2N4O and a molecular weight of 461.44 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one
PubChem CID5328706
Molecular FormulaC24H30Cl2N4O
Molecular Weight461.44 g/mol
Exact Mass460.18
IUPAC Name3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C24H30Cl2N4O/c1-4-30(5-2)13-8-6-7-12-27-22-15-21-17(16-28-22)14-18(24(31)29(21)3)23-19(25)10-9-11-20(23)26/h9-11,14-16H,4-8,12-13H2,1-3H3,(H,27,28)
InChIKeyYRRHAVKHTFWTLV-UHFFFAOYSA-N
XLogP5.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-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 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one (CID 5328706) is 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one is CCN(CC)CCCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is YRRHAVKHTFWTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O/c1-4-30(5-2)13-8-6-7-12-27-22-15-21-17(16-28-22)14-18(24(31)29(21)3)23-19(25)10-9-11-20(23)26/h9-11,14-16H,4-8,12-13H2,1-3H3,(H,27,28).
What are the key properties of 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 461.44 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-[5-(diethylamino)pentylamino]-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).