13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde

C30H32N2O4 — CID 143186581

IUPAC13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde
SMILESCOc1ccc2c(c1)C=C(C(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C=O)cc21
InChIInChI=1S/C30H32N2O4/c1-35-24-8-10-25-22(17-24)16-23(30(34)31-11-13-36-14-12-31)18-32-27-15-20(19-33)7-9-26(27)28(29(25)32)21-5-3-2-4-6-21/h7-10,15-17,19,21H,2-6,11-14,18H2,1H3
InChIKeyYIHHGLSDIKEPFG-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.43
Rot. Bonds4

About 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde

13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde (PubChem CID 143186581) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde.

Molecular Properties

Compound Name13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde
PubChem CID143186581
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde
SMILESCOc1ccc2c(c1)C=C(C(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C=O)cc21
InChIInChI=1S/C30H32N2O4/c1-35-24-8-10-25-22(17-24)16-23(30(34)31-11-13-36-14-12-31)18-32-27-15-20(19-33)7-9-26(27)28(29(25)32)21-5-3-2-4-6-21/h7-10,15-17,19,21H,2-6,11-14,18H2,1H3
InChIKeyYIHHGLSDIKEPFG-UHFFFAOYSA-N
XLogP5.43
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde with MolForge

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Related Compounds

5-(13-cyclohexyl-10-formyl-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl)-1,3-oxazole-4-carbaldehyde
CID 143770737
13-cyclohexyl-3-methoxy-6-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 16667215
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71170698
1-[13-cyclohexyl-6-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-10-yl]ethanone
CID 126714539
13-cyclohexyl-N-(dimethylaminosulfanyl)-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143427605
13-cyclohexyl-3-methoxy-6-[4-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 25211431
13-cyclohexyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde
CID 143427560
13-cyclohexyl-N-cyclopentylsulfanyl-3-methoxy-6-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143770701
13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid
CID 59682115
methyl 13-cyclohexyl-3-methoxy-6-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 24988620
10-O-tert-butyl 6-O-methyl 13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate
CID 59837558
tert-butyl 13-cyclohexyl-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 25189838

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde?
The IUPAC name of 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde (CID 143186581) is 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde.
What is the SMILES notation for 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde?
The canonical SMILES for 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde is COc1ccc2c(c1)C=C(C(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C=O)cc21.
What is the InChIKey of 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde?
The InChIKey is YIHHGLSDIKEPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-35-24-8-10-25-22(17-24)16-23(30(34)31-11-13-36-14-12-31)18-32-27-15-20(19-33)7-9-26(27)28(29(25)32)21-5-3-2-4-6-21/h7-10,15-17,19,21H,2-6,11-14,18H2,1H3.
What are the key properties of 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde?
13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde has a molecular weight of 484.60 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carbaldehyde is sourced from PubChem (CID 143186581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).