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

C23H16ClNO2 — CID 67690532

IUPAC7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one
SMILESC=C(c1ccccc1)c1ccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C23H16ClNO2/c1-14(15-5-3-2-4-6-15)16-7-9-17(10-8-16)21-22(26)19-12-11-18(24)13-20(19)25-23(21)27/h2-13H,1H2,(H2,25,26,27)
InChIKeyNPOZDFJIZKEJFX-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.62
Rot. Bonds3

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

7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one (PubChem CID 67690532) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one
PubChem CID67690532
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one
SMILESC=C(c1ccccc1)c1ccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C23H16ClNO2/c1-14(15-5-3-2-4-6-15)16-7-9-17(10-8-16)21-22(26)19-12-11-18(24)13-20(19)25-23(21)27/h2-13H,1H2,(H2,25,26,27)
InChIKeyNPOZDFJIZKEJFX-UHFFFAOYSA-N
XLogP5.62
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.62
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-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one (CID 67690532) is 7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one is C=C(c1ccccc1)c1ccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)cc1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one?
The InChIKey is NPOZDFJIZKEJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO2/c1-14(15-5-3-2-4-6-15)16-7-9-17(10-8-16)21-22(26)19-12-11-18(24)13-20(19)25-23(21)27/h2-13H,1H2,(H2,25,26,27).
What are the key properties of 7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one has a molecular weight of 373.84 g/mol, XLogP of 5.62, 3 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-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 67690532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).