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

C21H15Cl2N3O — CID 5328713

IUPAC7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)cc21
InChIInChI=1S/C21H15Cl2N3O/c1-26-18-11-19(25-14-6-3-2-4-7-14)24-12-13(18)10-15(21(26)27)20-16(22)8-5-9-17(20)23/h2-12H,1H3,(H,24,25)
InChIKeyGDAUEONAUDPBQF-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.65
Rot. Bonds3

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

7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one (PubChem CID 5328713) has the molecular formula C21H15Cl2N3O and a molecular weight of 396.28 g/mol. Its IUPAC name is 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one
PubChem CID5328713
Molecular FormulaC21H15Cl2N3O
Molecular Weight396.28 g/mol
Exact Mass395.06
IUPAC Name7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)cc21
InChIInChI=1S/C21H15Cl2N3O/c1-26-18-11-19(25-14-6-3-2-4-7-14)24-12-13(18)10-15(21(26)27)20-16(22)8-5-9-17(20)23/h2-12H,1H3,(H,24,25)
InChIKeyGDAUEONAUDPBQF-UHFFFAOYSA-N
XLogP5.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

PD-180970
CID 5311104
PD173955
CID 447077
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
Bisanilinopyrimidine, 6p
CID 70702144
2,6-Dichloro-N-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}benzamide
CID 49839561
2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
6-(2,6-Dichlorophenyl)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327868
6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327869
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 32
CID 5327879

Frequently Asked Questions

What is the IUPAC name of 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one (CID 5328713) is 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)cc21.
What is the InChIKey of 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is GDAUEONAUDPBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O/c1-26-18-11-19(25-14-6-3-2-4-7-14)24-12-13(18)10-15(21(26)27)20-16(22)8-5-9-17(20)23/h2-12H,1H3,(H,24,25).
What are the key properties of 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 396.28 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).