methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate

C19H17NO3 — CID 925279

IUPACmethyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2ccc(C)cc2C)c2ccccc12
InChIInChI=1S/C19H17NO3/c1-12-8-9-14(13(2)10-12)18(21)20-11-16(19(22)23-3)15-6-4-5-7-17(15)20/h4-11H,1-3H3
InChIKeyHFZUKMAHKKINNX-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.73
Rot. Bonds2

About methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate

methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate (PubChem CID 925279) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
PubChem CID925279
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2ccc(C)cc2C)c2ccccc12
InChIInChI=1S/C19H17NO3/c1-12-8-9-14(13(2)10-12)18(21)20-11-16(19(22)23-3)15-6-4-5-7-17(15)20/h4-11H,1-3H3
InChIKeyHFZUKMAHKKINNX-UHFFFAOYSA-N
XLogP3.73
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate
CID 7376054
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
methyl 1-(furan-2-carbonyl)indole-3-carboxylate
CID 703721
methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate
CID 98825918
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
CID 8779097
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
methyl 1-[(E)-1-bromo-2-iodo-2-phenylethenyl]indole-3-carboxylate
CID 102359655
methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate
CID 703715
methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate
CID 43917217

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate (CID 925279) is methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2ccc(C)cc2C)c2ccccc12.
What is the InChIKey of methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate?
The InChIKey is HFZUKMAHKKINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-8-9-14(13(2)10-12)18(21)20-11-16(19(22)23-3)15-6-4-5-7-17(15)20/h4-11H,1-3H3.
What are the key properties of methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate?
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate is sourced from PubChem (CID 925279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).