N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide

C47H47N5O3 — CID 67669396

IUPACN-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2occ(C3=CCN4CCCCC4C3)c2c1)c1ccccc1
InChIInChI=1S/C24H24N2O2.C23H23N3O/c27-24(17-6-2-1-3-7-17)25-19-9-10-23-21(15-19)22(16-28-23)18-11-13-26-12-5-4-8-20(26)14-18;27-23(16-5-2-1-3-6-16)25-18-8-9-22-20(14-18)21(15-24-22)17-10-12-26-11-4-7-19(26)13-17/h1-3,6-7,9-11,15-16,20H,4-5,8,12-14H2,(H,25,27);1-3,5-6,8-10,14-15,19,24H,4,7,11-13H2,(H,25,27)
InChIKeyZGXMAGBQMYMUMA-UHFFFAOYSA-N
MW729.93 g/mol
LogP10.00
Rot. Bonds6

About N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide

N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide (PubChem CID 67669396) has the molecular formula C47H47N5O3 and a molecular weight of 729.93 g/mol. Its IUPAC name is N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide
PubChem CID67669396
Molecular FormulaC47H47N5O3
Molecular Weight729.93 g/mol
Exact Mass729.37
IUPAC NameN-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2occ(C3=CCN4CCCCC4C3)c2c1)c1ccccc1
InChIInChI=1S/C24H24N2O2.C23H23N3O/c27-24(17-6-2-1-3-7-17)25-19-9-10-23-21(15-19)22(16-28-23)18-11-13-26-12-5-4-8-20(26)14-18;27-23(16-5-2-1-3-6-16)25-18-8-9-22-20(14-18)21(15-24-22)17-10-12-26-11-4-7-19(26)13-17/h1-3,6-7,9-11,15-16,20H,4-5,8,12-14H2,(H,25,27);1-3,5-6,8-10,14-15,19,24H,4,7,11-13H2,(H,25,27)
InChIKeyZGXMAGBQMYMUMA-UHFFFAOYSA-N
XLogP10.00
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.93
LogP ≤ 510.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide?
The IUPAC name of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide (CID 67669396) is N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide.
What is the SMILES notation for N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide?
The canonical SMILES for N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide is O=C(Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2occ(C3=CCN4CCCCC4C3)c2c1)c1ccccc1.
What is the InChIKey of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide?
The InChIKey is ZGXMAGBQMYMUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2.C23H23N3O/c27-24(17-6-2-1-3-7-17)25-19-9-10-23-21(15-19)22(16-28-23)18-11-13-26-12-5-4-8-20(26)14-18;27-23(16-5-2-1-3-6-16)25-18-8-9-22-20(14-18)21(15-24-22)17-10-12-26-11-4-7-19(26)13-17/h1-3,6-7,9-11,15-16,20H,4-5,8,12-14H2,(H,25,27);1-3,5-6,8-10,14-15,19,24H,4,7,11-13H2,(H,25,27).
What are the key properties of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide?
N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide has a molecular weight of 729.93 g/mol, XLogP of 10.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]benzamide;N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]benzamide is sourced from PubChem (CID 67669396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).