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

C23H27Cl2N5O — CID 5328707

IUPAC3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
SMILESCN1CCN(CCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1
InChIInChI=1S/C23H27Cl2N5O/c1-28-9-11-30(12-10-28)8-4-7-26-21-14-20-16(15-27-21)13-17(23(31)29(20)2)22-18(24)5-3-6-19(22)25/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,26,27)
InChIKeyQHXLYXAXXJZXCK-UHFFFAOYSA-N
MW460.41 g/mol
LogP3.96
Rot. Bonds6

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

3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one (PubChem CID 5328707) has the molecular formula C23H27Cl2N5O and a molecular weight of 460.41 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
PubChem CID5328707
Molecular FormulaC23H27Cl2N5O
Molecular Weight460.41 g/mol
Exact Mass459.16
IUPAC Name3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
SMILESCN1CCN(CCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1
InChIInChI=1S/C23H27Cl2N5O/c1-28-9-11-30(12-10-28)8-4-7-26-21-14-20-16(15-27-21)13-17(23(31)29(20)2)22-18(24)5-3-6-19(22)25/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,26,27)
InChIKeyQHXLYXAXXJZXCK-UHFFFAOYSA-N
XLogP3.96
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 53.96
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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Related Compounds

3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,8-naphthyridin-2-one
CID 5328728
3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one
CID 5328705
3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
CID 22124832
3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
CID 22124768
3-(2,6-dichlorophenyl)-7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-1-methyl-1,6-naphthyridin-2-one
CID 167119046
3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one
CID 22124831
N-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 5328181
1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]urea
CID 5328149
[4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid
CID 23160257
3-(2,6-dichlorophenyl)-7-[4-[3-(diethylamino)propoxy]anilino]-1-methyl-1,6-naphthyridin-2-one
CID 5328717
1-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]-3-octylurea
CID 5328156
3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 165057275

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one (CID 5328707) is 3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one is CN1CCN(CCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one?
The InChIKey is QHXLYXAXXJZXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N5O/c1-28-9-11-30(12-10-28)8-4-7-26-21-14-20-16(15-27-21)13-17(23(31)29(20)2)22-18(24)5-3-6-19(22)25/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,26,27).
What are the key properties of 3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one has a molecular weight of 460.41 g/mol, XLogP of 3.96, 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)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).