(5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone

C19H17N3O — CID 112526246

IUPAC(5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone
SMILESCc1cc2cc(N)ccc2n1C(=O)c1cccc2c1ccn2C
InChIInChI=1S/C19H17N3O/c1-12-10-13-11-14(20)6-7-17(13)22(12)19(23)16-4-3-5-18-15(16)8-9-21(18)2/h3-11H,20H2,1-2H3
InChIKeyDIGDQZZXKVRJRL-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.71
Rot. Bonds1

About (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone

(5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone (PubChem CID 112526246) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone
PubChem CID112526246
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone
SMILESCc1cc2cc(N)ccc2n1C(=O)c1cccc2c1ccn2C
InChIInChI=1S/C19H17N3O/c1-12-10-13-11-14(20)6-7-17(13)22(12)19(23)16-4-3-5-18-15(16)8-9-21(18)2/h3-11H,20H2,1-2H3
InChIKeyDIGDQZZXKVRJRL-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 (5-amino-2-methylindol-1-yl)-(1-methylindol-4-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

Related Compounds

6-amino-3-(1-methylindole-4-carbonyl)-1,3-benzoxazol-2-one
CID 112523032
(7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone
CID 112526845
(5-amino-2-methylindol-1-yl)-imidazo[1,5-a]pyridin-7-ylmethanone
CID 112526159
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone
CID 71879331
N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112526198
1,2-dimethylindol-5-amine
CID 6484710
2-fluoroethyl 1-methylindole-4-carboxylate
CID 86768941
[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-methylphenyl)methanone
CID 112534114
3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256600
N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide
CID 146122633
dimethyl (1S,3R,4R)-7-(1-methylindole-4-carbonyl)-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 167791476
ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 71702427

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone?
The IUPAC name of (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone (CID 112526246) is (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone.
What is the SMILES notation for (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone?
The canonical SMILES for (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone is Cc1cc2cc(N)ccc2n1C(=O)c1cccc2c1ccn2C.
What is the InChIKey of (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone?
The InChIKey is DIGDQZZXKVRJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-10-13-11-14(20)6-7-17(13)22(12)19(23)16-4-3-5-18-15(16)8-9-21(18)2/h3-11H,20H2,1-2H3.
What are the key properties of (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone?
(5-amino-2-methylindol-1-yl)-(1-methylindol-4-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 (5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone is sourced from PubChem (CID 112526246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).