5-chloro-1-quinolin-4-ylindole-3-carboxylic acid

C18H11ClN2O2 — CID 68970372

IUPAC5-chloro-1-quinolin-4-ylindole-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccnc3ccccc23)c2ccc(Cl)cc12
InChIInChI=1S/C18H11ClN2O2/c19-11-5-6-16-13(9-11)14(18(22)23)10-21(16)17-7-8-20-15-4-2-1-3-12(15)17/h1-10H,(H,22,23)
InChIKeyLEAYFZAUTJCOKI-UHFFFAOYSA-N
MW322.75 g/mol
LogP4.53
Rot. Bonds2

About 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid

5-chloro-1-quinolin-4-ylindole-3-carboxylic acid (PubChem CID 68970372) has the molecular formula C18H11ClN2O2 and a molecular weight of 322.75 g/mol. Its IUPAC name is 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-quinolin-4-ylindole-3-carboxylic acid
PubChem CID68970372
Molecular FormulaC18H11ClN2O2
Molecular Weight322.75 g/mol
Exact Mass322.05
IUPAC Name5-chloro-1-quinolin-4-ylindole-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccnc3ccccc23)c2ccc(Cl)cc12
InChIInChI=1S/C18H11ClN2O2/c19-11-5-6-16-13(9-11)14(18(22)23)10-21(16)17-7-8-20-15-4-2-1-3-12(15)17/h1-10H,(H,22,23)
InChIKeyLEAYFZAUTJCOKI-UHFFFAOYSA-N
XLogP4.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid?
The IUPAC name of 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid (CID 68970372) is 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid.
What is the SMILES notation for 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid?
The canonical SMILES for 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid is O=C(O)c1cn(-c2ccnc3ccccc23)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid?
The InChIKey is LEAYFZAUTJCOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2/c19-11-5-6-16-13(9-11)14(18(22)23)10-21(16)17-7-8-20-15-4-2-1-3-12(15)17/h1-10H,(H,22,23).
What are the key properties of 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid?
5-chloro-1-quinolin-4-ylindole-3-carboxylic acid has a molecular weight of 322.75 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-quinolin-4-ylindole-3-carboxylic acid is sourced from PubChem (CID 68970372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).