2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide

C20H13Cl2N3O3S — CID 155278627

IUPAC2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide
SMILESN#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(Cl)c1Cl)OCCO3
InChIInChI=1S/C20H13Cl2N3O3S/c21-13-2-1-3-14(19(13)22)24-18(26)10-29-20-12(9-23)6-11-7-16-17(8-15(11)25-20)28-5-4-27-16/h1-3,6-8H,4-5,10H2,(H,24,26)
InChIKeyYVNDERHOGKXYAC-UHFFFAOYSA-N
MW446.32 g/mol
LogP4.92
Rot. Bonds4

About 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide

2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 155278627) has the molecular formula C20H13Cl2N3O3S and a molecular weight of 446.32 g/mol. Its IUPAC name is 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide
PubChem CID155278627
Molecular FormulaC20H13Cl2N3O3S
Molecular Weight446.32 g/mol
Exact Mass445.01
IUPAC Name2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide
SMILESN#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(Cl)c1Cl)OCCO3
InChIInChI=1S/C20H13Cl2N3O3S/c21-13-2-1-3-14(19(13)22)24-18(26)10-29-20-12(9-23)6-11-7-16-17(8-15(11)25-20)28-5-4-27-16/h1-3,6-8H,4-5,10H2,(H,24,26)
InChIKeyYVNDERHOGKXYAC-UHFFFAOYSA-N
XLogP4.92
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.32
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide with MolForge

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Related Compounds

2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 1450636
N-tert-butyl-2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 1450597
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923
N-(2-chlorophenyl)-2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetamide
CID 43812152
2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 43812548
2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43812567
2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 1176255
2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 43812541
N-(2-bromophenyl)-2-[(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 3208347
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 43811398
2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1171997
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269

Frequently Asked Questions

What is the IUPAC name of 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide (CID 155278627) is 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide is N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(Cl)c1Cl)OCCO3.
What is the InChIKey of 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is YVNDERHOGKXYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O3S/c21-13-2-1-3-14(19(13)22)24-18(26)10-29-20-12(9-23)6-11-7-16-17(8-15(11)25-20)28-5-4-27-16/h1-3,6-8H,4-5,10H2,(H,24,26).
What are the key properties of 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide?
2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 446.32 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 155278627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).