2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide

C19H14N2O4 — CID 67028477

IUPAC2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide
SMILESCOc1ccc2[nH]cc(C=C3Oc4cc(C(N)=O)ccc4C3=O)c2c1
InChIInChI=1S/C19H14N2O4/c1-24-12-3-5-15-14(8-12)11(9-21-15)7-17-18(22)13-4-2-10(19(20)23)6-16(13)25-17/h2-9,21H,1H3,(H2,20,23)
InChIKeyLKQNCMASUYHRBA-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.89
Rot. Bonds3

About 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide

2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide (PubChem CID 67028477) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide
PubChem CID67028477
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide
SMILESCOc1ccc2[nH]cc(C=C3Oc4cc(C(N)=O)ccc4C3=O)c2c1
InChIInChI=1S/C19H14N2O4/c1-24-12-3-5-15-14(8-12)11(9-21-15)7-17-18(22)13-4-2-10(19(20)23)6-16(13)25-17/h2-9,21H,1H3,(H2,20,23)
InChIKeyLKQNCMASUYHRBA-UHFFFAOYSA-N
XLogP2.89
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69003793
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate
CID 3601084
(2Z)-2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-5-carbonitrile
CID 69000083
methyl N-[[(2Z)-2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-5-yl]carbamoyl]carbamate
CID 140544856
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
CID 5159697
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
CID 3712007
1-butyl-3-[2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-5-yl]urea
CID 67028146
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
CID 3696610
2-(1H-indol-3-ylmethylidene)-6-(2-methylprop-2-enoxy)-1-benzofuran-3-one
CID 3778988
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 177440525
[2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 3,4-dimethoxybenzoate
CID 18836006

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide?
The IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide (CID 67028477) is 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide is COc1ccc2[nH]cc(C=C3Oc4cc(C(N)=O)ccc4C3=O)c2c1.
What is the InChIKey of 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide?
The InChIKey is LKQNCMASUYHRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-24-12-3-5-15-14(8-12)11(9-21-15)7-17-18(22)13-4-2-10(19(20)23)6-16(13)25-17/h2-9,21H,1H3,(H2,20,23).
What are the key properties of 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide?
2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide is sourced from PubChem (CID 67028477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).