1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one

C23H28N2O3 — CID 67452097

IUPAC1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one
SMILESCCCCCCCN1CC(c2ccc(OC)c3oc4cnccc4c23)CC1=O
InChIInChI=1S/C23H28N2O3/c1-3-4-5-6-7-12-25-15-16(13-21(25)26)17-8-9-19(27-2)23-22(17)18-10-11-24-14-20(18)28-23/h8-11,14,16H,3-7,12-13,15H2,1-2H3
InChIKeyQRGBRDXJGNAEBD-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.28
Rot. Bonds8

About 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one

1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one (PubChem CID 67452097) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one
PubChem CID67452097
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one
SMILESCCCCCCCN1CC(c2ccc(OC)c3oc4cnccc4c23)CC1=O
InChIInChI=1S/C23H28N2O3/c1-3-4-5-6-7-12-25-15-16(13-21(25)26)17-8-9-19(27-2)23-22(17)18-10-11-24-14-20(18)28-23/h8-11,14,16H,3-7,12-13,15H2,1-2H3
InChIKeyQRGBRDXJGNAEBD-UHFFFAOYSA-N
XLogP5.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one?
The IUPAC name of 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one (CID 67452097) is 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one?
The canonical SMILES for 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one is CCCCCCCN1CC(c2ccc(OC)c3oc4cnccc4c23)CC1=O.
What is the InChIKey of 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one?
The InChIKey is QRGBRDXJGNAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-4-5-6-7-12-25-15-16(13-21(25)26)17-8-9-19(27-2)23-22(17)18-10-11-24-14-20(18)28-23/h8-11,14,16H,3-7,12-13,15H2,1-2H3.
What are the key properties of 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one?
1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 67452097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).