N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide

C19H17N3O3S — CID 2588947

IUPACN-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SCC(=O)NC(N)=O)nc2c1
InChIInChI=1S/C19H17N3O3S/c1-25-13-7-8-14-15(12-5-3-2-4-6-12)10-18(21-16(14)9-13)26-11-17(23)22-19(20)24/h2-10H,11H2,1H3,(H3,20,22,23,24)
InChIKeyBIZWWWLZQSQWQI-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.20
Rot. Bonds5

About N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide

N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide (PubChem CID 2588947) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
PubChem CID2588947
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SCC(=O)NC(N)=O)nc2c1
InChIInChI=1S/C19H17N3O3S/c1-25-13-7-8-14-15(12-5-3-2-4-6-12)10-18(21-16(14)9-13)26-11-17(23)22-19(20)24/h2-10H,11H2,1H3,(H3,20,22,23,24)
InChIKeyBIZWWWLZQSQWQI-UHFFFAOYSA-N
XLogP3.20
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
CID 855603
2-[3-(4-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200248
2-(7-Methoxy-3-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 648080
7-Ethoxy-2-[2-(4-methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-quinoline-3-carbonitrile
CID 648869
2-(3-Ethyl-7-methoxy-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 650104
(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic acid ethyl ester
CID 651177
(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic acid methyl ester
CID 656385
N-(4-methoxyphenyl)-3-(2-quinolinylthio)propanamide
CID 890011
2-(6-Methoxy-2-methyl-quinolin-4-ylsulfanyl)-N-(2,4,6-trimethyl-phenyl)-acetamide
CID 1143752
N-(2,6-dimethylphenyl)-2-[(6-methoxy-2-methyl-4-quinolinyl)thio]acetamide
CID 1162986
Phenyl-acetic acid N'-[2-(3-cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetyl]-hydrazide
CID 1374312
2-(3-Benzyl-quinolin-2-ylsulfanyl)-N-(2,5-dimethoxy-phenyl)-acetamide
CID 1440307

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide (CID 2588947) is N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide is COc1ccc2c(-c3ccccc3)cc(SCC(=O)NC(N)=O)nc2c1.
What is the InChIKey of N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The InChIKey is BIZWWWLZQSQWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-13-7-8-14-15(12-5-3-2-4-6-12)10-18(21-16(14)9-13)26-11-17(23)22-19(20)24/h2-10H,11H2,1H3,(H3,20,22,23,24).
What are the key properties of N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide has a molecular weight of 367.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2588947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).