3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one

C21H19Cl2N5O — CID 5328712

IUPAC3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCn3ccnc3)cc21
InChIInChI=1S/C21H19Cl2N5O/c1-27-18-11-19(25-6-3-8-28-9-7-24-13-28)26-12-14(18)10-15(21(27)29)20-16(22)4-2-5-17(20)23/h2,4-5,7,9-13H,3,6,8H2,1H3,(H,25,26)
InChIKeyBSMKGOSXJLCJOB-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.61
Rot. Bonds6

About 3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one (PubChem CID 5328712) has the molecular formula C21H19Cl2N5O and a molecular weight of 428.32 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one
PubChem CID5328712
Molecular FormulaC21H19Cl2N5O
Molecular Weight428.32 g/mol
Exact Mass427.10
IUPAC Name3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCn3ccnc3)cc21
InChIInChI=1S/C21H19Cl2N5O/c1-27-18-11-19(25-6-3-8-28-9-7-24-13-28)26-12-14(18)10-15(21(27)29)20-16(22)4-2-5-17(20)23/h2,4-5,7,9-13H,3,6,8H2,1H3,(H,25,26)
InChIKeyBSMKGOSXJLCJOB-UHFFFAOYSA-N
XLogP4.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one (CID 5328712) is 3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCn3ccnc3)cc21.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is BSMKGOSXJLCJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O/c1-27-18-11-19(25-6-3-8-28-9-7-24-13-28)26-12-14(18)10-15(21(27)29)20-16(22)4-2-5-17(20)23/h2,4-5,7,9-13H,3,6,8H2,1H3,(H,25,26).
What are the key properties of 3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 428.32 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-(3-imidazol-1-ylpropylamino)-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).