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

C22H26Cl2N4O — CID 5328704

IUPAC3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C22H26Cl2N4O/c1-4-28(5-2)11-7-10-25-20-13-19-15(14-26-20)12-16(22(29)27(19)3)21-17(23)8-6-9-18(21)24/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,25,26)
InChIKeyDHTNVMBSGAPRGN-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.05
Rot. Bonds8

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

3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one (PubChem CID 5328704) has the molecular formula C22H26Cl2N4O and a molecular weight of 433.38 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one
PubChem CID5328704
Molecular FormulaC22H26Cl2N4O
Molecular Weight433.38 g/mol
Exact Mass432.15
IUPAC Name3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C22H26Cl2N4O/c1-4-28(5-2)11-7-10-25-20-13-19-15(14-26-20)12-16(22(29)27(19)3)21-17(23)8-6-9-18(21)24/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,25,26)
InChIKeyDHTNVMBSGAPRGN-UHFFFAOYSA-N
XLogP5.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one (CID 5328704) is 3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one is CCN(CC)CCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is DHTNVMBSGAPRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O/c1-4-28(5-2)11-7-10-25-20-13-19-15(14-26-20)12-16(22(29)27(19)3)21-17(23)8-6-9-18(21)24/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,25,26).
What are the key properties of 3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 433.38 g/mol, XLogP of 5.05, 8 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-[3-(diethylamino)propylamino]-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).