1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one

C16H16N2O2 — CID 29037776

IUPAC1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)Cc3ccccc32)cc1N
InChIInChI=1S/C16H16N2O2/c1-20-15-7-6-11(8-13(15)17)10-18-14-5-3-2-4-12(14)9-16(18)19/h2-8H,9-10,17H2,1H3
InChIKeyDTORARPAZMVQAV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.37
Rot. Bonds3

About 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one

1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 29037776) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
PubChem CID29037776
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)Cc3ccccc32)cc1N
InChIInChI=1S/C16H16N2O2/c1-20-15-7-6-11(8-13(15)17)10-18-14-5-3-2-4-12(14)9-16(18)19/h2-8H,9-10,17H2,1H3
InChIKeyDTORARPAZMVQAV-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one 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

1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
CID 43349881
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
CID 62932933
1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
CID 82091764
3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
CID 174756583
1-[(3-bromo-4-methoxyphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79783159
1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
CID 43111801
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3282435
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
CID 43350321
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one
CID 43349697

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one (CID 29037776) is 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one is COc1ccc(CN2C(=O)Cc3ccccc32)cc1N.
What is the InChIKey of 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is DTORARPAZMVQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15-7-6-11(8-13(15)17)10-18-14-5-3-2-4-12(14)9-16(18)19/h2-8H,9-10,17H2,1H3.
What are the key properties of 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one?
1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 29037776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).