(7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone

C19H17N3O — CID 112526845

IUPAC(7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone
SMILESCc1cc2cccc(N)c2n1C(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C19H17N3O/c1-12-10-14-4-3-5-16(20)18(14)22(12)19(23)15-6-7-17-13(11-15)8-9-21(17)2/h3-11H,20H2,1-2H3
InChIKeyNYVKOAIHXVIGFD-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.71
Rot. Bonds1

About (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone

(7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone (PubChem CID 112526845) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone.

Molecular Properties

Compound Name(7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone
PubChem CID112526845
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone
SMILESCc1cc2cccc(N)c2n1C(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C19H17N3O/c1-12-10-14-4-3-5-16(20)18(14)22(12)19(23)15-6-7-17-13(11-15)8-9-21(17)2/h3-11H,20H2,1-2H3
InChIKeyNYVKOAIHXVIGFD-UHFFFAOYSA-N
XLogP3.71
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone?
The IUPAC name of (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone (CID 112526845) is (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone.
What is the SMILES notation for (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone?
The canonical SMILES for (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone is Cc1cc2cccc(N)c2n1C(=O)c1ccc2c(ccn2C)c1.
What is the InChIKey of (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone?
The InChIKey is NYVKOAIHXVIGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-10-14-4-3-5-16(20)18(14)22(12)19(23)15-6-7-17-13(11-15)8-9-21(17)2/h3-11H,20H2,1-2H3.
What are the key properties of (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone?
(7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone is sourced from PubChem (CID 112526845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).