3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one

C23H26Cl2N4O2 — CID 5328711

IUPAC3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCCN3CCOCC3)cc21
InChIInChI=1S/C23H26Cl2N4O2/c1-28-20-14-21(26-7-2-3-8-29-9-11-31-12-10-29)27-15-16(20)13-17(23(28)30)22-18(24)5-4-6-19(22)25/h4-6,13-15H,2-3,7-12H2,1H3,(H,26,27)
InChIKeyXWMCANBQNZDUCO-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.43
Rot. Bonds7

About 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one (PubChem CID 5328711) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
PubChem CID5328711
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCCN3CCOCC3)cc21
InChIInChI=1S/C23H26Cl2N4O2/c1-28-20-14-21(26-7-2-3-8-29-9-11-31-12-10-29)27-15-16(20)13-17(23(28)30)22-18(24)5-4-6-19(22)25/h4-6,13-15H,2-3,7-12H2,1H3,(H,26,27)
InChIKeyXWMCANBQNZDUCO-UHFFFAOYSA-N
XLogP4.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-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)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one (CID 5328711) is 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCCN3CCOCC3)cc21.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one?
The InChIKey is XWMCANBQNZDUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c1-28-20-14-21(26-7-2-3-8-29-9-11-31-12-10-29)27-15-16(20)13-17(23(28)30)22-18(24)5-4-6-19(22)25/h4-6,13-15H,2-3,7-12H2,1H3,(H,26,27).
What are the key properties of 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one has a molecular weight of 461.39 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-methyl-7-(4-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).