2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide

C15H16Cl2N2OS — CID 143751490

IUPAC2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide
SMILESCCC(C)c1c(CC(N)=O)[nH]c2cc(Cl)c(Cl)cc2c1=S
InChIInChI=1S/C15H16Cl2N2OS/c1-3-7(2)14-12(6-13(18)20)19-11-5-10(17)9(16)4-8(11)15(14)21/h4-5,7H,3,6H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyYMPBUIFCCXZUAG-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.75
Rot. Bonds4

About 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide

2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide (PubChem CID 143751490) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide
PubChem CID143751490
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC Name2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide
SMILESCCC(C)c1c(CC(N)=O)[nH]c2cc(Cl)c(Cl)cc2c1=S
InChIInChI=1S/C15H16Cl2N2OS/c1-3-7(2)14-12(6-13(18)20)19-11-5-10(17)9(16)4-8(11)15(14)21/h4-5,7H,3,6H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyYMPBUIFCCXZUAG-UHFFFAOYSA-N
XLogP4.75
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide
CID 162663759
3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide
CID 155713883
5-butan-2-yl-2-chlorobenzamide
CID 129129656
2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide
CID 158705289
2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide
CID 90480445
2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58607360
4-butan-2-yl-6-chloro-5-methyl-1H-indazole
CID 177000627
2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide
CID 143751615
ethyl 2-(5,6-dichloro-1H-benzimidazol-2-yl)propanoate
CID 82001665
ethyl 7-chloro-6-methoxy-4-sulfanylidene-1H-quinoline-3-carboxylate
CID 54772918
6-butan-2-yl-7-chloro-2,3-dihydrophthalazine-1,4-dione
CID 59081731
2-butan-2-ylbenzene-1,3-dicarbonyl chloride
CID 139767662

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide?
The IUPAC name of 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide (CID 143751490) is 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide.
What is the SMILES notation for 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide?
The canonical SMILES for 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide is CCC(C)c1c(CC(N)=O)[nH]c2cc(Cl)c(Cl)cc2c1=S.
What is the InChIKey of 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide?
The InChIKey is YMPBUIFCCXZUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-3-7(2)14-12(6-13(18)20)19-11-5-10(17)9(16)4-8(11)15(14)21/h4-5,7H,3,6H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide?
2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide has a molecular weight of 343.28 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide is sourced from PubChem (CID 143751490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).