2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine

C23H27N3O2 — CID 67028176

IUPAC2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine
SMILESCOc1ccc2c(c1)c(C=C1Cc3ccc(N)cc3O1)cn2CCCN(C)C
InChIInChI=1S/C23H27N3O2/c1-25(2)9-4-10-26-15-17(21-14-19(27-3)7-8-22(21)26)12-20-11-16-5-6-18(24)13-23(16)28-20/h5-8,12-15H,4,9-11,24H2,1-3H3
InChIKeyJBCRPQSJVRWSQH-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.16
Rot. Bonds6

About 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine

2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine (PubChem CID 67028176) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine.

Molecular Properties

Compound Name2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine
PubChem CID67028176
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine
SMILESCOc1ccc2c(c1)c(C=C1Cc3ccc(N)cc3O1)cn2CCCN(C)C
InChIInChI=1S/C23H27N3O2/c1-25(2)9-4-10-26-15-17(21-14-19(27-3)7-8-22(21)26)12-20-11-16-5-6-18(24)13-23(16)28-20/h5-8,12-15H,4,9-11,24H2,1-3H3
InChIKeyJBCRPQSJVRWSQH-UHFFFAOYSA-N
XLogP4.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]acetamide
CID 67028057
[(2Z)-2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-6-hydroxy-3-oxo-1-benzofuran-4-yl] N,N-dimethylcarbamate
CID 46185489
[2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-4-hydroxy-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate
CID 68553475
2-[[4-(carboxymethylcarbamoyloxy)-2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3-oxo-1-benzofuran-6-yl]oxycarbonylamino]acetic acid
CID 68559624
1-[3-(dimethylamino)propyl]-3-[(2Z)-2-[[5-methoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]urea
CID 69003772
3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene
CID 143973321
1-[2-(dimethylamino)ethyl]-3-[(2Z)-2-[[5-methoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]urea
CID 69002090
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
CID 25028895
3-(2,7-dimethoxycarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 58544929
[2-[[5-methoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]urea
CID 67028389
2-[[2-cyclopropyl-1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-6-hydroxy-1-benzofuran-3-one
CID 67028180

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine?
The IUPAC name of 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine (CID 67028176) is 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine.
What is the SMILES notation for 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine?
The canonical SMILES for 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine is COc1ccc2c(c1)c(C=C1Cc3ccc(N)cc3O1)cn2CCCN(C)C.
What is the InChIKey of 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine?
The InChIKey is JBCRPQSJVRWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-25(2)9-4-10-26-15-17(21-14-19(27-3)7-8-22(21)26)12-20-11-16-5-6-18(24)13-23(16)28-20/h5-8,12-15H,4,9-11,24H2,1-3H3.
What are the key properties of 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine?
2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine has a molecular weight of 377.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine is sourced from PubChem (CID 67028176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).