4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide

C18H15N3O2S — CID 135801100

IUPAC4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc3ccccc3[nH]c2=S)cc1
InChIInChI=1S/C18H15N3O2S/c1-23-15-8-6-12(7-9-15)17(22)21-19-11-14-10-13-4-2-3-5-16(13)20-18(14)24/h2-11H,1H3,(H,20,24)(H,21,22)/b19-11-
InChIKeyOTCHKWIOBAZAOG-ODLFYWEKSA-N
MW337.40 g/mol
LogP3.67
Rot. Bonds4

About 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide

4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide (PubChem CID 135801100) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide
PubChem CID135801100
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc3ccccc3[nH]c2=S)cc1
InChIInChI=1S/C18H15N3O2S/c1-23-15-8-6-12(7-9-15)17(22)21-19-11-14-10-13-4-2-3-5-16(13)20-18(14)24/h2-11H,1H3,(H,20,24)(H,21,22)/b19-11-
InChIKeyOTCHKWIOBAZAOG-ODLFYWEKSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135685127
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
CID 135688473
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide
CID 175137572
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide (CID 135801100) is 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2cc3ccccc3[nH]c2=S)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide?
The InChIKey is OTCHKWIOBAZAOG-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-23-15-8-6-12(7-9-15)17(22)21-19-11-14-10-13-4-2-3-5-16(13)20-18(14)24/h2-11H,1H3,(H,20,24)(H,21,22)/b19-11-.
What are the key properties of 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide?
4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide has a molecular weight of 337.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135801100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).