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

C23H18ClNO3 — CID 54689452

IUPAC7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one
SMILESCOc1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C23H18ClNO3/c1-28-18-8-5-14(6-9-18)11-15-3-2-4-16(12-15)21-22(26)19-10-7-17(24)13-20(19)25-23(21)27/h2-10,12-13H,11H2,1H3,(H2,25,26,27)
InChIKeyITPRBCDKYPSWNW-UHFFFAOYSA-N
MW391.85 g/mol
LogP5.15
Rot. Bonds4

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

7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one (PubChem CID 54689452) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one
PubChem CID54689452
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC Name7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one
SMILESCOc1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C23H18ClNO3/c1-28-18-8-5-14(6-9-18)11-15-3-2-4-16(12-15)21-22(26)19-10-7-17(24)13-20(19)25-23(21)27/h2-10,12-13H,11H2,1H3,(H2,25,26,27)
InChIKeyITPRBCDKYPSWNW-UHFFFAOYSA-N
XLogP5.15
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.85
LogP ≤ 55.15
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-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one (CID 54689452) is 7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one is COc1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one?
The InChIKey is ITPRBCDKYPSWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3/c1-28-18-8-5-14(6-9-18)11-15-3-2-4-16(12-15)21-22(26)19-10-7-17(24)13-20(19)25-23(21)27/h2-10,12-13H,11H2,1H3,(H2,25,26,27).
What are the key properties of 7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one has a molecular weight of 391.85 g/mol, XLogP of 5.15, 4 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-methoxyphenyl)methyl]phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54689452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).