(2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone

C17H16N2O2 — CID 81396807

IUPAC(2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCOc1cccc(N)c1C(=O)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C17H16N2O2/c1-10-5-3-7-13-15(10)11(9-19-13)17(20)16-12(18)6-4-8-14(16)21-2/h3-9,19H,18H2,1-2H3
InChIKeyDNPBTOMUNMAPOK-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.30
Rot. Bonds3

About (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone

(2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone (PubChem CID 81396807) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
PubChem CID81396807
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCOc1cccc(N)c1C(=O)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C17H16N2O2/c1-10-5-3-7-13-15(10)11(9-19-13)17(20)16-12(18)6-4-8-14(16)21-2/h3-9,19H,18H2,1-2H3
InChIKeyDNPBTOMUNMAPOK-UHFFFAOYSA-N
XLogP3.30
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-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

(4-methyl-1H-indol-3-yl) 2-amino-6-methylbenzoate
CID 67779961
(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913
(2-amino-4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166272
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone (CID 81396807) is (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone is COc1cccc(N)c1C(=O)c1c[nH]c2cccc(C)c12.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone?
The InChIKey is DNPBTOMUNMAPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-5-3-7-13-15(10)11(9-19-13)17(20)16-12(18)6-4-8-14(16)21-2/h3-9,19H,18H2,1-2H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone?
(2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone has a molecular weight of 280.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 81396807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).