8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide

C16H11Cl2N3O2 — CID 137390981

IUPAC8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide
SMILESCOc1c(C(N)=O)nnc2c(-c3cccc(Cl)c3Cl)cccc12
InChIInChI=1S/C16H11Cl2N3O2/c1-23-15-10-6-2-5-9(8-4-3-7-11(17)12(8)18)13(10)20-21-14(15)16(19)22/h2-7H,1H3,(H2,19,22)
InChIKeyGSTQBOGRNODVAO-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.71
Rot. Bonds3

About 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide

8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide (PubChem CID 137390981) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide.

Molecular Properties

Compound Name8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide
PubChem CID137390981
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide
SMILESCOc1c(C(N)=O)nnc2c(-c3cccc(Cl)c3Cl)cccc12
InChIInChI=1S/C16H11Cl2N3O2/c1-23-15-10-6-2-5-9(8-4-3-7-11(17)12(8)18)13(10)20-21-14(15)16(19)22/h2-7H,1H3,(H2,19,22)
InChIKeyGSTQBOGRNODVAO-UHFFFAOYSA-N
XLogP3.71
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide
CID 59791624
4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide
CID 70275502
5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403698
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169403614
dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate
CID 12832892
4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
CID 71765098
4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide
CID 137391063
4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide
CID 91536361
4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide
CID 25183553
3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide
CID 870179
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
CID 119016274

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide?
The IUPAC name of 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide (CID 137390981) is 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide.
What is the SMILES notation for 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide?
The canonical SMILES for 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide is COc1c(C(N)=O)nnc2c(-c3cccc(Cl)c3Cl)cccc12.
What is the InChIKey of 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide?
The InChIKey is GSTQBOGRNODVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c1-23-15-10-6-2-5-9(8-4-3-7-11(17)12(8)18)13(10)20-21-14(15)16(19)22/h2-7H,1H3,(H2,19,22).
What are the key properties of 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide?
8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dichlorophenyl)-4-methoxycinnoline-3-carboxamide is sourced from PubChem (CID 137390981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).