2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

C20H19ClN2O3S — CID 15996857

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C20H19ClN2O3S/c1-12-4-7-17(26-3)15(8-12)22-19(24)11-27-18-10-20(25)23(2)16-9-13(21)5-6-14(16)18/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyWQXVAUMSAIOFHK-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.24
Rot. Bonds5

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 15996857) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID15996857
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C20H19ClN2O3S/c1-12-4-7-17(26-3)15(8-12)22-19(24)11-27-18-10-20(25)23(2)16-9-13(21)5-6-14(16)18/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyWQXVAUMSAIOFHK-UHFFFAOYSA-N
XLogP4.24
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 20861862
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide
CID 20856556
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50773610
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354922
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 35395858
N-(2-methoxy-5-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275215
2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 47032016
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 35540790

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (CID 15996857) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is WQXVAUMSAIOFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-12-4-7-17(26-3)15(8-12)22-19(24)11-27-18-10-20(25)23(2)16-9-13(21)5-6-14(16)18/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 402.90 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 15996857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).