N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride

C30H36ClN5O2 — CID 44534073

IUPACN-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride
SMILESCc1noc(-c2ccc3c(c2)CCN(CCC2CCC(NC(=O)c4cc5ccccc5[nH]4)CC2)CC3)n1.Cl
InChIInChI=1S/C30H35N5O2.ClH/c1-20-31-30(37-34-20)25-9-8-22-13-16-35(17-14-23(22)18-25)15-12-21-6-10-26(11-7-21)32-29(36)28-19-24-4-2-3-5-27(24)33-28;/h2-5,8-9,18-19,21,26,33H,6-7,10-17H2,1H3,(H,32,36);1H
InChIKeySQGOBVPUGNJACL-UHFFFAOYSA-N
MW534.10 g/mol
LogP5.73
Rot. Bonds6

About N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride

N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride (PubChem CID 44534073) has the molecular formula C30H36ClN5O2 and a molecular weight of 534.10 g/mol. Its IUPAC name is N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride
PubChem CID44534073
Molecular FormulaC30H36ClN5O2
Molecular Weight534.10 g/mol
Exact Mass533.26
IUPAC NameN-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride
SMILESCc1noc(-c2ccc3c(c2)CCN(CCC2CCC(NC(=O)c4cc5ccccc5[nH]4)CC2)CC3)n1.Cl
InChIInChI=1S/C30H35N5O2.ClH/c1-20-31-30(37-34-20)25-9-8-22-13-16-35(17-14-23(22)18-25)15-12-21-6-10-26(11-7-21)32-29(36)28-19-24-4-2-3-5-27(24)33-28;/h2-5,8-9,18-19,21,26,33H,6-7,10-17H2,1H3,(H,32,36);1H
InChIKeySQGOBVPUGNJACL-UHFFFAOYSA-N
XLogP5.73
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.10
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride (CID 44534073) is N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride is Cc1noc(-c2ccc3c(c2)CCN(CCC2CCC(NC(=O)c4cc5ccccc5[nH]4)CC2)CC3)n1.Cl.
What is the InChIKey of N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is SQGOBVPUGNJACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2.ClH/c1-20-31-30(37-34-20)25-9-8-22-13-16-35(17-14-23(22)18-25)15-12-21-6-10-26(11-7-21)32-29(36)28-19-24-4-2-3-5-27(24)33-28;/h2-5,8-9,18-19,21,26,33H,6-7,10-17H2,1H3,(H,32,36);1H.
What are the key properties of N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride?
N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 534.10 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 44534073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).