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

C22H16ClNO3 — CID 54717331

IUPAC7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one
SMILESCc1ccc(Oc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C22H16ClNO3/c1-13-5-8-16(9-6-13)27-17-4-2-3-14(11-17)20-21(25)18-10-7-15(23)12-19(18)24-22(20)26/h2-12H,1H3,(H2,24,25,26)
InChIKeyMCQWIIVNQWKJDH-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.65
Rot. Bonds3

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

7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one (PubChem CID 54717331) has the molecular formula C22H16ClNO3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one
PubChem CID54717331
Molecular FormulaC22H16ClNO3
Molecular Weight377.83 g/mol
Exact Mass377.08
IUPAC Name7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one
SMILESCc1ccc(Oc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C22H16ClNO3/c1-13-5-8-16(9-6-13)27-17-4-2-3-14(11-17)20-21(25)18-10-7-15(23)12-19(18)24-22(20)26/h2-12H,1H3,(H2,24,25,26)
InChIKeyMCQWIIVNQWKJDH-UHFFFAOYSA-N
XLogP5.65
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.65
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-(4-methylphenoxy)phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one (CID 54717331) is 7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one is Cc1ccc(Oc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one?
The InChIKey is MCQWIIVNQWKJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO3/c1-13-5-8-16(9-6-13)27-17-4-2-3-14(11-17)20-21(25)18-10-7-15(23)12-19(18)24-22(20)26/h2-12H,1H3,(H2,24,25,26).
What are the key properties of 7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one has a molecular weight of 377.83 g/mol, XLogP of 5.65, 3 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-(4-methylphenoxy)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54717331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).