methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate

C18H14ClNO4 — CID 7376054

IUPACmethyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cc(Cl)ccc2OC)c2ccccc12
InChIInChI=1S/C18H14ClNO4/c1-23-16-8-7-11(19)9-13(16)17(21)20-10-14(18(22)24-2)12-5-3-4-6-15(12)20/h3-10H,1-2H3
InChIKeyUDOTWTPITSXJEF-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.78
Rot. Bonds3

About methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate

methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate (PubChem CID 7376054) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate
PubChem CID7376054
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Namemethyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cc(Cl)ccc2OC)c2ccccc12
InChIInChI=1S/C18H14ClNO4/c1-23-16-8-7-11(19)9-13(16)17(21)20-10-14(18(22)24-2)12-5-3-4-6-15(12)20/h3-10H,1-2H3
InChIKeyUDOTWTPITSXJEF-UHFFFAOYSA-N
XLogP3.78
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
1-(2-methoxybenzoyl)indole-3-carboxamide
CID 91690536
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
methyl 1-(furan-2-carbonyl)indole-3-carboxylate
CID 703721
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 8816537
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

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate (CID 7376054) is methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2cc(Cl)ccc2OC)c2ccccc12.
What is the InChIKey of methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate?
The InChIKey is UDOTWTPITSXJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-23-16-8-7-11(19)9-13(16)17(21)20-10-14(18(22)24-2)12-5-3-4-6-15(12)20/h3-10H,1-2H3.
What are the key properties of methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate?
methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate has a molecular weight of 343.77 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate is sourced from PubChem (CID 7376054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).