7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one

C23H15ClN2O2 — CID 54704880

IUPAC7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(-n2ccc3ccccc32)c1
InChIInChI=1S/C23H15ClN2O2/c24-16-8-9-18-19(13-16)25-23(28)21(22(18)27)15-5-3-6-17(12-15)26-11-10-14-4-1-2-7-20(14)26/h1-13H,(H2,25,27,28)
InChIKeySCDBDOBRVVKAKB-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.50
Rot. Bonds2

About 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one

7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one (PubChem CID 54704880) has the molecular formula C23H15ClN2O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one
PubChem CID54704880
Molecular FormulaC23H15ClN2O2
Molecular Weight386.84 g/mol
Exact Mass386.08
IUPAC Name7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(-n2ccc3ccccc32)c1
InChIInChI=1S/C23H15ClN2O2/c24-16-8-9-18-19(13-16)25-23(28)21(22(18)27)15-5-3-6-17(12-15)26-11-10-14-4-1-2-7-20(14)26/h1-13H,(H2,25,27,28)
InChIKeySCDBDOBRVVKAKB-UHFFFAOYSA-N
XLogP5.50
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one (CID 54704880) is 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(-n2ccc3ccccc32)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one?
The InChIKey is SCDBDOBRVVKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O2/c24-16-8-9-18-19(13-16)25-23(28)21(22(18)27)15-5-3-6-17(12-15)26-11-10-14-4-1-2-7-20(14)26/h1-13H,(H2,25,27,28).
What are the key properties of 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one has a molecular weight of 386.84 g/mol, XLogP of 5.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(3-indol-1-ylphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54704880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).