3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one

C23H28Cl2N4O — CID 5328705

IUPAC3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C23H28Cl2N4O/c1-4-29(5-2)12-7-6-11-26-21-14-20-16(15-27-21)13-17(23(30)28(20)3)22-18(24)9-8-10-19(22)25/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,26,27)
InChIKeyPMCRAXHPRPRFAQ-UHFFFAOYSA-N
MW447.41 g/mol
LogP5.44
Rot. Bonds9

About 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one (PubChem CID 5328705) has the molecular formula C23H28Cl2N4O and a molecular weight of 447.41 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one
PubChem CID5328705
Molecular FormulaC23H28Cl2N4O
Molecular Weight447.41 g/mol
Exact Mass446.16
IUPAC Name3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C
InChIInChI=1S/C23H28Cl2N4O/c1-4-29(5-2)12-7-6-11-26-21-14-20-16(15-27-21)13-17(23(30)28(20)3)22-18(24)9-8-10-19(22)25/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,26,27)
InChIKeyPMCRAXHPRPRFAQ-UHFFFAOYSA-N
XLogP5.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 55.44
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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Related Compounds

3-(2,6-dichlorophenyl)-7-[4-[3-(diethylamino)propoxy]anilino]-1-methyl-1,6-naphthyridin-2-one
CID 5328717
3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
CID 5328707
3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine
CID 5330145
3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
CID 22124768
3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one
CID 22124831
7-[4-(diethylamino)butylamino]-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one
CID 22124658
3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one
CID 22124644
N-[6-(2,6-dichlorophenyl)quinazolin-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 58829176
[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-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-1-methyl-1,6-naphthyridin-2-one
CID 167119046
3-(2-chloro-6-methoxyphenyl)-7-[[(1Z,3E)-4-[2-(diethylamino)ethoxy]-1-(methylideneamino)penta-1,3-dienyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 129047472
3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,8-naphthyridin-2-one
CID 5328728

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one (CID 5328705) is 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one is CCN(CC)CCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is PMCRAXHPRPRFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N4O/c1-4-29(5-2)12-7-6-11-26-21-14-20-16(15-27-21)13-17(23(30)28(20)3)22-18(24)9-8-10-19(22)25/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,26,27).
What are the key properties of 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 447.41 g/mol, XLogP of 5.44, 9 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-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).