7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one

C24H16ClNO2 — CID 54716038

IUPAC7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(C2=CCc3ccccc32)c1
InChIInChI=1S/C24H16ClNO2/c25-17-9-11-20-21(13-17)26-24(28)22(23(20)27)16-6-3-5-15(12-16)19-10-8-14-4-1-2-7-18(14)19/h1-7,9-13H,8H2,(H2,26,27,28)
InChIKeyMOOSIFQNQITLHB-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.54
Rot. Bonds2

About 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one

7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one (PubChem CID 54716038) has the molecular formula C24H16ClNO2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one
PubChem CID54716038
Molecular FormulaC24H16ClNO2
Molecular Weight385.85 g/mol
Exact Mass385.09
IUPAC Name7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(C2=CCc3ccccc32)c1
InChIInChI=1S/C24H16ClNO2/c25-17-9-11-20-21(13-17)26-24(28)22(23(20)27)16-6-3-5-15(12-16)19-10-8-14-4-1-2-7-18(14)19/h1-7,9-13H,8H2,(H2,26,27,28)
InChIKeyMOOSIFQNQITLHB-UHFFFAOYSA-N
XLogP5.54
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one (CID 54716038) is 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(C2=CCc3ccccc32)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one?
The InChIKey is MOOSIFQNQITLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO2/c25-17-9-11-20-21(13-17)26-24(28)22(23(20)27)16-6-3-5-15(12-16)19-10-8-14-4-1-2-7-18(14)19/h1-7,9-13H,8H2,(H2,26,27,28).
What are the key properties of 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one has a molecular weight of 385.85 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-[3-(3H-inden-1-yl)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54716038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).