2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide

C15H15N3O2S — CID 1433864

IUPAC2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCOc1ccc2nc(SCC(=O)N(C)C)c(C#N)cc2c1
InChIInChI=1S/C15H15N3O2S/c1-18(2)14(19)9-21-15-11(8-16)6-10-7-12(20-3)4-5-13(10)17-15/h4-7H,9H2,1-3H3
InChIKeyLHKIXHCMYUDZIV-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.30
Rot. Bonds4

About 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide

2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide (PubChem CID 1433864) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide
PubChem CID1433864
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCOc1ccc2nc(SCC(=O)N(C)C)c(C#N)cc2c1
InChIInChI=1S/C15H15N3O2S/c1-18(2)14(19)9-21-15-11(8-16)6-10-7-12(20-3)4-5-13(10)17-15/h4-7H,9H2,1-3H3
InChIKeyLHKIXHCMYUDZIV-UHFFFAOYSA-N
XLogP2.30
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450389
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile
CID 865645
methyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 865487
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide
CID 865483
6-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 3207581
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1450449
6-ethoxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 1207114
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 865636
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethoxyquinoline-3-carbonitrile
CID 43812448
6-ethoxy-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 43812446
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide
CID 1164444

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide (CID 1433864) is 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide is COc1ccc2nc(SCC(=O)N(C)C)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is LHKIXHCMYUDZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18(2)14(19)9-21-15-11(8-16)6-10-7-12(20-3)4-5-13(10)17-15/h4-7H,9H2,1-3H3.
What are the key properties of 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide?
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 301.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 1433864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).