(7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone

C26H21N3O — CID 44577841

IUPAC(7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone
SMILESCc1cccc2c(C(=O)c3ccccc3NCc3ccc4ncccc4c3)c[nH]c12
InChIInChI=1S/C26H21N3O/c1-17-6-4-9-20-22(16-29-25(17)20)26(30)21-8-2-3-10-24(21)28-15-18-11-12-23-19(14-18)7-5-13-27-23/h2-14,16,28-29H,15H2,1H3
InChIKeyHQWKFSLMYILZCC-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.87
Rot. Bonds5

About (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone

(7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone (PubChem CID 44577841) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name(7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone
PubChem CID44577841
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC Name(7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone
SMILESCc1cccc2c(C(=O)c3ccccc3NCc3ccc4ncccc4c3)c[nH]c12
InChIInChI=1S/C26H21N3O/c1-17-6-4-9-20-22(16-29-25(17)20)26(30)21-8-2-3-10-24(21)28-15-18-11-12-23-19(14-18)7-5-13-27-23/h2-14,16,28-29H,15H2,1H3
InChIKeyHQWKFSLMYILZCC-UHFFFAOYSA-N
XLogP5.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
The IUPAC name of (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone (CID 44577841) is (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone.
What is the SMILES notation for (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
The canonical SMILES for (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone is Cc1cccc2c(C(=O)c3ccccc3NCc3ccc4ncccc4c3)c[nH]c12.
What is the InChIKey of (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
The InChIKey is HQWKFSLMYILZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O/c1-17-6-4-9-20-22(16-29-25(17)20)26(30)21-8-2-3-10-24(21)28-15-18-11-12-23-19(14-18)7-5-13-27-23/h2-14,16,28-29H,15H2,1H3.
What are the key properties of (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
(7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone has a molecular weight of 391.47 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1H-indol-3-yl)-[2-(quinolin-6-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 44577841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).