N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide

C19H17N3O2S — CID 1043414

IUPACN-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1cccc(C=NNC(=O)CSc2ccc3ccccc3n2)c1
InChIInChI=1S/C19H17N3O2S/c1-24-16-7-4-5-14(11-16)12-20-22-18(23)13-25-19-10-9-15-6-2-3-8-17(15)21-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyNZLCCKFCPQIINH-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.49
Rot. Bonds6

About N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide

N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 1043414) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
PubChem CID1043414
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1cccc(C=NNC(=O)CSc2ccc3ccccc3n2)c1
InChIInChI=1S/C19H17N3O2S/c1-24-16-7-4-5-14(11-16)12-20-22-18(23)13-25-19-10-9-15-6-2-3-8-17(15)21-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyNZLCCKFCPQIINH-UHFFFAOYSA-N
XLogP3.49
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
CID 1376615
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 591089
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 4508618
[3-[(E)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6872767
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
3-(benzotriazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5424028
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6863912
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 5334959
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 51214703
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 1426884
2-(1,3-dioxoisoindol-2-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 73347713

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide (CID 1043414) is N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is COc1cccc(C=NNC(=O)CSc2ccc3ccccc3n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is NZLCCKFCPQIINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-16-7-4-5-14(11-16)12-20-22-18(23)13-25-19-10-9-15-6-2-3-8-17(15)21-19/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 351.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 1043414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).