7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide

C16H15N3O3 — CID 50853406

IUPAC7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N/N=C\c3ccn(C)c3)oc12
InChIInChI=1S/C16H15N3O3/c1-19-7-6-11(10-19)9-17-18-16(20)14-8-12-4-3-5-13(21-2)15(12)22-14/h3-10H,1-2H3,(H,18,20)/b17-9-
InChIKeySRORIQNPCNQTRA-MFOYZWKCSA-N
MW297.31 g/mol
LogP2.54
Rot. Bonds4

About 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide

7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 50853406) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID50853406
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N/N=C\c3ccn(C)c3)oc12
InChIInChI=1S/C16H15N3O3/c1-19-7-6-11(10-19)9-17-18-16(20)14-8-12-4-3-5-13(21-2)15(12)22-14/h3-10H,1-2H3,(H,18,20)/b17-9-
InChIKeySRORIQNPCNQTRA-MFOYZWKCSA-N
XLogP2.54
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.54
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

7-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 3842687
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 137051285
4-[2-[[(7-methoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 1283944
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 3342706
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 6293096
N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 124648739
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 50866775
2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide
CID 50853612
N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50853757

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide (CID 50853406) is 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N/N=C\c3ccn(C)c3)oc12.
What is the InChIKey of 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is SRORIQNPCNQTRA-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-19-7-6-11(10-19)9-17-18-16(20)14-8-12-4-3-5-13(21-2)15(12)22-14/h3-10H,1-2H3,(H,18,20)/b17-9-.
What are the key properties of 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 50853406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).