2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone

C17H17NO3 — CID 116594626

IUPAC2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2CNc3ccccc32)c1
InChIInChI=1S/C17H17NO3/c1-20-12-7-11(8-13(9-12)21-2)17(19)15-10-18-16-6-4-3-5-14(15)16/h3-9,15,18H,10H2,1-2H3
InChIKeyQVOIAWKJSOKRGR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.10
Rot. Bonds4

About 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone

2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone (PubChem CID 116594626) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
PubChem CID116594626
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2CNc3ccccc32)c1
InChIInChI=1S/C17H17NO3/c1-20-12-7-11(8-13(9-12)21-2)17(19)15-10-18-16-6-4-3-5-14(15)16/h3-9,15,18H,10H2,1-2H3
InChIKeyQVOIAWKJSOKRGR-UHFFFAOYSA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)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

methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116594634
(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone
CID 67571288
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116594701
3-methylbutan-2-yl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565850
3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565901
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
CID 174877397
3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104050
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
CID 80566211

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone (CID 116594626) is 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)C2CNc3ccccc32)c1.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone?
The InChIKey is QVOIAWKJSOKRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-12-7-11(8-13(9-12)21-2)17(19)15-10-18-16-6-4-3-5-14(15)16/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone?
2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone has a molecular weight of 283.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 116594626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).