2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

C25H23ClN2O2 — CID 130394761

IUPAC2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESNC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C=O)=Cc1ccc(Cl)cc1-3
InChIInChI=1S/C25H23ClN2O2/c26-19-8-6-17-10-15(14-29)13-28-22-11-18(25(27)30)7-9-20(22)23(24(28)21(17)12-19)16-4-2-1-3-5-16/h6-12,14,16H,1-5,13H2,(H2,27,30)
InChIKeyARIFMLVHGHUAGT-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.70
Rot. Bonds3

About 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 130394761) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

Compound Name2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
PubChem CID130394761
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESNC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C=O)=Cc1ccc(Cl)cc1-3
InChIInChI=1S/C25H23ClN2O2/c26-19-8-6-17-10-15(14-29)13-28-22-11-18(25(27)30)7-9-20(22)23(24(28)21(17)12-19)16-4-2-1-3-5-16/h6-12,14,16H,1-5,13H2,(H2,27,30)
InChIKeyARIFMLVHGHUAGT-UHFFFAOYSA-N
XLogP5.70
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-cyano-13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 68613525
3-chloro-13-cyclohexyl-5-[(E)-2-piperidin-1-ylethenyl]-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CID 143093828
methyl 3-chloro-13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 58677114
6-(4-acetylpiperazine-1-carbonyl)-13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;ethane
CID 143427373
13-cyclohexyl-3-hydroxy-6-methoxycarbonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 67109227
methyl 13-cyclohexyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143427262
3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one
CID 66801392
13-cyclohexyl-3-hydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 11617733
3-cyclohexyl-17-(2-fluorophenyl)-10,13,18-triazapentacyclo[12.7.0.02,10.04,9.015,19]henicosa-1(14),2,4(9),5,7,15(19),16,20-octaene-7-carboxamide
CID 143615913
11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide
CID 126714436
methyl 13-cyclohexyl-6-oxo-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxylate
CID 58765241
methyl 11-cyclohexyl-8-(dimethylamino)-6H-isoindolo[2,1-a]indole-3-carboxylate
CID 143523326

Frequently Asked Questions

What is the IUPAC name of 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The IUPAC name of 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (CID 130394761) is 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.
What is the SMILES notation for 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The canonical SMILES for 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C=O)=Cc1ccc(Cl)cc1-3.
What is the InChIKey of 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The InChIKey is ARIFMLVHGHUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c26-19-8-6-17-10-15(14-29)13-28-22-11-18(25(27)30)7-9-20(22)23(24(28)21(17)12-19)16-4-2-1-3-5-16/h6-12,14,16H,1-5,13H2,(H2,27,30).
What are the key properties of 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 418.92 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-13-cyclohexyl-6-formyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 130394761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).