N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide

C18H15N3O4S — CID 3539327

IUPACN-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C18H15N3O4S/c1-25-15-10-13(21(23)24)7-8-14(15)20-17(22)11-26-16-6-2-4-12-5-3-9-19-18(12)16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyBLRTYDHJGGRIQC-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.88
Rot. Bonds6

About N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide

N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 3539327) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID3539327
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C18H15N3O4S/c1-25-15-10-13(21(23)24)7-8-14(15)20-17(22)11-26-16-6-2-4-12-5-3-9-19-18(12)16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyBLRTYDHJGGRIQC-UHFFFAOYSA-N
XLogP3.88
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 4297004
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
2-[(2-benzoyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3127733
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2941083
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3894185
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 16961494
2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 28564045
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 112781013
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide (CID 3539327) is N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc2cccnc12.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is BLRTYDHJGGRIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-25-15-10-13(21(23)24)7-8-14(15)20-17(22)11-26-16-6-2-4-12-5-3-9-19-18(12)16/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide?
N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 369.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 3539327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).