methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate

C18H15ClN2O4 — CID 148919144

IUPACmethyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate
SMILESCOC(=O)Cc1c(C(=O)c2cc(OC)ccn2)n(Cl)c2ccccc12
InChIInChI=1S/C18H15ClN2O4/c1-24-11-7-8-20-14(9-11)18(23)17-13(10-16(22)25-2)12-5-3-4-6-15(12)21(17)19/h3-9H,10H2,1-2H3
InChIKeyYQTWXEAOMDKIRK-UHFFFAOYSA-N
MW358.78 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate

methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate (PubChem CID 148919144) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate
PubChem CID148919144
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Namemethyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate
SMILESCOC(=O)Cc1c(C(=O)c2cc(OC)ccn2)n(Cl)c2ccccc12
InChIInChI=1S/C18H15ClN2O4/c1-24-11-7-8-20-14(9-11)18(23)17-13(10-16(22)25-2)12-5-3-4-6-15(12)21(17)19/h3-9H,10H2,1-2H3
InChIKeyYQTWXEAOMDKIRK-UHFFFAOYSA-N
XLogP2.99
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate?
The IUPAC name of methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate (CID 148919144) is methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate is COC(=O)Cc1c(C(=O)c2cc(OC)ccn2)n(Cl)c2ccccc12.
What is the InChIKey of methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate?
The InChIKey is YQTWXEAOMDKIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-24-11-7-8-20-14(9-11)18(23)17-13(10-16(22)25-2)12-5-3-4-6-15(12)21(17)19/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate?
methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate has a molecular weight of 358.78 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate is sourced from PubChem (CID 148919144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).