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

C30H35Cl2N5O2 — CID 44534270

IUPAC7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc3c(c2)CCN(CCC2CCC(NC(=O)c4cc5cccc(Cl)c5[nH]4)CC2)CC3)no1.Cl
InChIInChI=1S/C30H34ClN5O2.ClH/c1-19-32-29(35-38-19)24-8-7-21-12-15-36(16-13-22(21)17-24)14-11-20-5-9-25(10-6-20)33-30(37)27-18-23-3-2-4-26(31)28(23)34-27;/h2-4,7-8,17-18,20,25,34H,5-6,9-16H2,1H3,(H,33,37);1H
InChIKeyPSAQKLIZECZYSF-UHFFFAOYSA-N
MW568.55 g/mol
LogP6.38
Rot. Bonds6

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

7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride (PubChem CID 44534270) has the molecular formula C30H35Cl2N5O2 and a molecular weight of 568.55 g/mol. Its IUPAC name is 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride
PubChem CID44534270
Molecular FormulaC30H35Cl2N5O2
Molecular Weight568.55 g/mol
Exact Mass567.22
IUPAC Name7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc3c(c2)CCN(CCC2CCC(NC(=O)c4cc5cccc(Cl)c5[nH]4)CC2)CC3)no1.Cl
InChIInChI=1S/C30H34ClN5O2.ClH/c1-19-32-29(35-38-19)24-8-7-21-12-15-36(16-13-22(21)17-24)14-11-20-5-9-25(10-6-20)33-30(37)27-18-23-3-2-4-26(31)28(23)34-27;/h2-4,7-8,17-18,20,25,34H,5-6,9-16H2,1H3,(H,33,37);1H
InChIKeyPSAQKLIZECZYSF-UHFFFAOYSA-N
XLogP6.38
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.55
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-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 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride (CID 44534270) is 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride is Cc1nc(-c2ccc3c(c2)CCN(CCC2CCC(NC(=O)c4cc5cccc(Cl)c5[nH]4)CC2)CC3)no1.Cl.
What is the InChIKey of 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is PSAQKLIZECZYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O2.ClH/c1-19-32-29(35-38-19)24-8-7-21-12-15-36(16-13-22(21)17-24)14-11-20-5-9-25(10-6-20)33-30(37)27-18-23-3-2-4-26(31)28(23)34-27;/h2-4,7-8,17-18,20,25,34H,5-6,9-16H2,1H3,(H,33,37);1H.
What are the key properties of 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride?
7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 568.55 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 44534270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).