N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide

C20H20N2O — CID 91132074

IUPACN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide
SMILESO=C(NC1CCCc2ccccc2C1)c1cccc2[nH]ccc12
InChIInChI=1S/C20H20N2O/c23-20(18-9-4-10-19-17(18)11-12-21-19)22-16-8-3-7-14-5-1-2-6-15(14)13-16/h1-2,4-6,9-12,16,21H,3,7-8,13H2,(H,22,23)
InChIKeyFQGZVTKZXXSXGW-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.85
Rot. Bonds2

About N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide

N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide (PubChem CID 91132074) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide
PubChem CID91132074
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide
SMILESO=C(NC1CCCc2ccccc2C1)c1cccc2[nH]ccc12
InChIInChI=1S/C20H20N2O/c23-20(18-9-4-10-19-17(18)11-12-21-19)22-16-8-3-7-14-5-1-2-6-15(14)13-16/h1-2,4-6,9-12,16,21H,3,7-8,13H2,(H,22,23)
InChIKeyFQGZVTKZXXSXGW-UHFFFAOYSA-N
XLogP3.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-4-carboxamide
CID 20872294
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-(azepan-4-yl)-1H-indole-4-carboxamide
CID 107172324
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556
N-(4-carbamoylcyclohexyl)-1H-indole-4-carboxamide
CID 61043628
N-(2-hydroxycyclohexyl)-1H-indole-4-carboxamide
CID 62366462
N-(5-azaspiro[3.5]nonan-8-yl)-1H-indole-4-carboxamide
CID 43595331
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide
CID 110207920
N-(2-aminocycloheptyl)-1H-indole-4-carboxamide
CID 63257895
N-(2-cyanocyclopentyl)-1H-indole-4-carboxamide
CID 55153670
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1H-indole-4-carboxamide
CID 43594493

Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide (CID 91132074) is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide is O=C(NC1CCCc2ccccc2C1)c1cccc2[nH]ccc12.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide?
The InChIKey is FQGZVTKZXXSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20(18-9-4-10-19-17(18)11-12-21-19)22-16-8-3-7-14-5-1-2-6-15(14)13-16/h1-2,4-6,9-12,16,21H,3,7-8,13H2,(H,22,23).
What are the key properties of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide?
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 91132074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).