4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide

C22H17N3O3S — CID 1247126

IUPAC4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(Sc3cccc4cccnc34)o2)cc1
InChIInChI=1S/C22H17N3O3S/c1-27-17-9-7-16(8-10-17)22(26)25-24-14-18-11-12-20(28-18)29-19-6-2-4-15-5-3-13-23-21(15)19/h2-14H,1H3,(H,25,26)
InChIKeyPOLGJWAKPLSUKU-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.75
Rot. Bonds6

About 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide

4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide (PubChem CID 1247126) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide
PubChem CID1247126
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(Sc3cccc4cccnc34)o2)cc1
InChIInChI=1S/C22H17N3O3S/c1-27-17-9-7-16(8-10-17)22(26)25-24-14-18-11-12-20(28-18)29-19-6-2-4-15-5-3-13-23-21(15)19/h2-14H,1H3,(H,25,26)
InChIKeyPOLGJWAKPLSUKU-UHFFFAOYSA-N
XLogP4.75
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide
CID 6895307
[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 3119183
2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 2223074
2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 5344847
N-[(Z)-[5-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]furan-2-yl]methylideneamino]-4-methoxybenzamide
CID 124529566
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126191266
4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide
CID 172709506
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6059252
3-bromo-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 5435224

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide (CID 1247126) is 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide is COc1ccc(C(=O)NN=Cc2ccc(Sc3cccc4cccnc34)o2)cc1.
What is the InChIKey of 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is POLGJWAKPLSUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-27-17-9-7-16(8-10-17)22(26)25-24-14-18-11-12-20(28-18)29-19-6-2-4-15-5-3-13-23-21(15)19/h2-14H,1H3,(H,25,26).
What are the key properties of 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide?
4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 403.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 1247126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).