6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid

C19H15ClN2O3 — CID 86698717

IUPAC6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(N4CCCC4=O)cc3)cc12
InChIInChI=1S/C19H15ClN2O3/c20-16-9-17-14(15(10-21-17)19(24)25)8-13(16)11-3-5-12(6-4-11)22-7-1-2-18(22)23/h3-6,8-10,21H,1-2,7H2,(H,24,25)
InChIKeyQNILMUODIJLUIJ-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.31
Rot. Bonds3

About 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid

6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid (PubChem CID 86698717) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid
PubChem CID86698717
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(N4CCCC4=O)cc3)cc12
InChIInChI=1S/C19H15ClN2O3/c20-16-9-17-14(15(10-21-17)19(24)25)8-13(16)11-3-5-12(6-4-11)22-7-1-2-18(22)23/h3-6,8-10,21H,1-2,7H2,(H,24,25)
InChIKeyQNILMUODIJLUIJ-UHFFFAOYSA-N
XLogP4.31
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid (CID 86698717) is 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(N4CCCC4=O)cc3)cc12.
What is the InChIKey of 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid?
The InChIKey is QNILMUODIJLUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-16-9-17-14(15(10-21-17)19(24)25)8-13(16)11-3-5-12(6-4-11)22-7-1-2-18(22)23/h3-6,8-10,21H,1-2,7H2,(H,24,25).
What are the key properties of 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid?
6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid has a molecular weight of 354.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 86698717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).