3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one

C23H23N3O3 — CID 66771953

IUPAC3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc(C=C3C(=O)Nc4ccccc43)o2)cn1
InChIInChI=1S/C23H23N3O3/c1-26(2)12-5-13-28-22-11-8-16(15-24-22)21-10-9-17(29-21)14-19-18-6-3-4-7-20(18)25-23(19)27/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,25,27)
InChIKeyJAMLUICXAULQQO-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.16
Rot. Bonds7

About 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one

3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 66771953) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID66771953
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc(C=C3C(=O)Nc4ccccc43)o2)cn1
InChIInChI=1S/C23H23N3O3/c1-26(2)12-5-13-28-22-11-8-16(15-24-22)21-10-9-17(29-21)14-19-18-6-3-4-7-20(18)25-23(19)27/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,25,27)
InChIKeyJAMLUICXAULQQO-UHFFFAOYSA-N
XLogP4.16
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one (CID 66771953) is 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one is CN(C)CCCOc1ccc(-c2ccc(C=C3C(=O)Nc4ccccc43)o2)cn1.
What is the InChIKey of 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is JAMLUICXAULQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26(2)12-5-13-28-22-11-8-16(15-24-22)21-10-9-17(29-21)14-19-18-6-3-4-7-20(18)25-23(19)27/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,25,27).
What are the key properties of 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one?
3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 389.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 66771953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).