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

C15H11Cl2N3O — CID 5328700

IUPAC7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)cc21
InChIInChI=1S/C15H11Cl2N3O/c1-20-12-6-13(18)19-7-8(12)5-9(15(20)21)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H2,18,19)
InChIKeyDFQSOVLJNOFZAK-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.49
Rot. Bonds1

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

7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one (PubChem CID 5328700) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one
PubChem CID5328700
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)cc21
InChIInChI=1S/C15H11Cl2N3O/c1-20-12-6-13(18)19-7-8(12)5-9(15(20)21)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H2,18,19)
InChIKeyDFQSOVLJNOFZAK-UHFFFAOYSA-N
XLogP3.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one (CID 5328700) is 7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)cc21.
What is the InChIKey of 7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is DFQSOVLJNOFZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-20-12-6-13(18)19-7-8(12)5-9(15(20)21)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H2,18,19).
What are the key properties of 7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one?
7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 320.18 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2,6-dichlorophenyl)-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).