N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide

C30H28FN3O3 — CID 46225164

IUPACN-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide
SMILESO=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C(=O)c1ccccc1)CO3
InChIInChI=1S/C30H28FN3O3/c31-22-9-10-26-24(15-22)21(17-33-26)7-4-14-34(30(36)20-5-2-1-3-6-20)23-16-25-27(37-18-23)11-8-19-12-13-32-29(35)28(19)25/h1-3,5-6,8-11,15,17,23,33H,4,7,12-14,16,18H2,(H,32,35)
InChIKeyZLNFUFOORAFJJW-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.67
Rot. Bonds6

About N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide

N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide (PubChem CID 46225164) has the molecular formula C30H28FN3O3 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide
PubChem CID46225164
Molecular FormulaC30H28FN3O3
Molecular Weight497.57 g/mol
Exact Mass497.21
IUPAC NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide
SMILESO=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C(=O)c1ccccc1)CO3
InChIInChI=1S/C30H28FN3O3/c31-22-9-10-26-24(15-22)21(17-33-26)7-4-14-34(30(36)20-5-2-1-3-6-20)23-16-25-27(37-18-23)11-8-19-12-13-32-29(35)28(19)25/h1-3,5-6,8-11,15,17,23,33H,4,7,12-14,16,18H2,(H,32,35)
InChIKeyZLNFUFOORAFJJW-UHFFFAOYSA-N
XLogP4.67
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide?
The IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide (CID 46225164) is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide.
What is the SMILES notation for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide is O=C1NCCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C(=O)c1ccccc1)CO3.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide?
The InChIKey is ZLNFUFOORAFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN3O3/c31-22-9-10-26-24(15-22)21(17-33-26)7-4-14-34(30(36)20-5-2-1-3-6-20)23-16-25-27(37-18-23)11-8-19-12-13-32-29(35)28(19)25/h1-3,5-6,8-11,15,17,23,33H,4,7,12-14,16,18H2,(H,32,35).
What are the key properties of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide?
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide has a molecular weight of 497.57 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)benzamide is sourced from PubChem (CID 46225164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).