6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine

C18H18N2 — CID 42604913

IUPAC6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine
SMILESCCC1Nc2ccccc2Cc2c1[nH]c1ccccc21
InChIInChI=1S/C18H18N2/c1-2-15-18-14(13-8-4-6-10-17(13)20-18)11-12-7-3-5-9-16(12)19-15/h3-10,15,19-20H,2,11H2,1H3
InChIKeyVODDJHZYPHLKJU-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.64
Rot. Bonds1

About 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine

6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine (PubChem CID 42604913) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine.

Molecular Properties

Compound Name6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine
PubChem CID42604913
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine
SMILESCCC1Nc2ccccc2Cc2c1[nH]c1ccccc21
InChIInChI=1S/C18H18N2/c1-2-15-18-14(13-8-4-6-10-17(13)20-18)11-12-7-3-5-9-16(12)19-15/h3-10,15,19-20H,2,11H2,1H3
InChIKeyVODDJHZYPHLKJU-UHFFFAOYSA-N
XLogP4.64
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
2-methoxy-6-(3,4,5-trimethoxyphenyl)-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine
CID 71747977
5,10-dihydroindeno[1,2-b]indole;ethane
CID 143208166
4-(5,6,11,12-tetrahydroindolo[3,2-c][1]benzazepin-12-yl)benzonitrile
CID 42605148
(1R,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-12-one
CID 11403663
diethyl (1R)-1-ethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole-3,3-dicarboxylate
CID 101391443
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
10,11-dihydro-5H-indolo[3,2-b]quinoline
CID 134852787
N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
CID 10014060
9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione
CID 46223187
bis(9H-carbazole);propane
CID 90987002
2-cyclobutyl-3-methyl-1H-indole
CID 91217757

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine?
The IUPAC name of 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine (CID 42604913) is 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine.
What is the SMILES notation for 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine?
The canonical SMILES for 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine is CCC1Nc2ccccc2Cc2c1[nH]c1ccccc21.
What is the InChIKey of 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine?
The InChIKey is VODDJHZYPHLKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-15-18-14(13-8-4-6-10-17(13)20-18)11-12-7-3-5-9-16(12)19-15/h3-10,15,19-20H,2,11H2,1H3.
What are the key properties of 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine?
6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine has a molecular weight of 262.36 g/mol, XLogP of 4.64, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine is sourced from PubChem (CID 42604913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).