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

C47H52ClN5O3 — CID 67671159

IUPACN-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc2[nH]cc(C3CCN4CCCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2occ(C3CCN4CCCC4C3)c2c1)c1ccccc1
InChIInChI=1S/C24H27N3O.C23H24N2O2.ClH/c28-24(17-6-2-1-3-7-17)26-19-9-10-23-21(15-19)22(16-25-23)18-11-13-27-12-5-4-8-20(27)14-18;26-23(16-5-2-1-3-6-16)24-18-8-9-22-20(14-18)21(15-27-22)17-10-12-25-11-4-7-19(25)13-17;/h1-3,6-7,9-10,15-16,18,20,25H,4-5,8,11-14H2,(H,26,28);1-3,5-6,8-9,14-15,17,19H,4,7,10-13H2,(H,24,26);1H
InChIKeyVPGGGHGJNPULCB-UHFFFAOYSA-N
MW770.42 g/mol
LogP10.60
Rot. Bonds6

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

N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride (PubChem CID 67671159) has the molecular formula C47H52ClN5O3 and a molecular weight of 770.42 g/mol. Its IUPAC name is N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride
PubChem CID67671159
Molecular FormulaC47H52ClN5O3
Molecular Weight770.42 g/mol
Exact Mass769.38
IUPAC NameN-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc2[nH]cc(C3CCN4CCCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2occ(C3CCN4CCCC4C3)c2c1)c1ccccc1
InChIInChI=1S/C24H27N3O.C23H24N2O2.ClH/c28-24(17-6-2-1-3-7-17)26-19-9-10-23-21(15-19)22(16-25-23)18-11-13-27-12-5-4-8-20(27)14-18;26-23(16-5-2-1-3-6-16)24-18-8-9-22-20(14-18)21(15-27-22)17-10-12-25-11-4-7-19(25)13-17;/h1-3,6-7,9-10,15-16,18,20,25H,4-5,8,11-14H2,(H,26,28);1-3,5-6,8-9,14-15,17,19H,4,7,10-13H2,(H,24,26);1H
InChIKeyVPGGGHGJNPULCB-UHFFFAOYSA-N
XLogP10.60
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.42
LogP ≤ 510.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride?
The IUPAC name of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride (CID 67671159) is N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride?
The canonical SMILES for N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride is Cl.O=C(Nc1ccc2[nH]cc(C3CCN4CCCCC4C3)c2c1)c1ccccc1.O=C(Nc1ccc2occ(C3CCN4CCCC4C3)c2c1)c1ccccc1.
What is the InChIKey of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride?
The InChIKey is VPGGGHGJNPULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.C23H24N2O2.ClH/c28-24(17-6-2-1-3-7-17)26-19-9-10-23-21(15-19)22(16-25-23)18-11-13-27-12-5-4-8-20(27)14-18;26-23(16-5-2-1-3-6-16)24-18-8-9-22-20(14-18)21(15-27-22)17-10-12-25-11-4-7-19(25)13-17;/h1-3,6-7,9-10,15-16,18,20,25H,4-5,8,11-14H2,(H,26,28);1-3,5-6,8-9,14-15,17,19H,4,7,10-13H2,(H,24,26);1H.
What are the key properties of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride?
N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride has a molecular weight of 770.42 g/mol, XLogP of 10.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]benzamide;N-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]benzamide;hydrochloride is sourced from PubChem (CID 67671159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).