3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one

C25H31Cl2N5O — CID 5328709

IUPAC3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one
SMILESCN1CCN(CCCCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1
InChIInChI=1S/C25H31Cl2N5O/c1-30-11-13-32(14-12-30)10-5-3-4-9-28-23-16-22-18(17-29-23)15-19(25(33)31(22)2)24-20(26)7-6-8-21(24)27/h6-8,15-17H,3-5,9-14H2,1-2H3,(H,28,29)
InChIKeyIARQDYQVYMTLQW-UHFFFAOYSA-N
MW488.46 g/mol
LogP4.74
Rot. Bonds8

About 3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one (PubChem CID 5328709) has the molecular formula C25H31Cl2N5O and a molecular weight of 488.46 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one
PubChem CID5328709
Molecular FormulaC25H31Cl2N5O
Molecular Weight488.46 g/mol
Exact Mass487.19
IUPAC Name3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one
SMILESCN1CCN(CCCCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1
InChIInChI=1S/C25H31Cl2N5O/c1-30-11-13-32(14-12-30)10-5-3-4-9-28-23-16-22-18(17-29-23)15-19(25(33)31(22)2)24-20(26)7-6-8-21(24)27/h6-8,15-17H,3-5,9-14H2,1-2H3,(H,28,29)
InChIKeyIARQDYQVYMTLQW-UHFFFAOYSA-N
XLogP4.74
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 54.74
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)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one (CID 5328709) is 3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one is CN1CCN(CCCCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one?
The InChIKey is IARQDYQVYMTLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N5O/c1-30-11-13-32(14-12-30)10-5-3-4-9-28-23-16-22-18(17-29-23)15-19(25(33)31(22)2)24-20(26)7-6-8-21(24)27/h6-8,15-17H,3-5,9-14H2,1-2H3,(H,28,29).
What are the key properties of 3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-1-methyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one has a molecular weight of 488.46 g/mol, XLogP of 4.74, 8 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-[5-(4-methylpiperazin-1-yl)pentylamino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).