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

C23H19ClN2O2 — CID 54718412

IUPAC7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one
SMILESCN(Cc1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1)c1ccccc1
InChIInChI=1S/C23H19ClN2O2/c1-26(18-8-3-2-4-9-18)14-15-6-5-7-16(12-15)21-22(27)19-11-10-17(24)13-20(19)25-23(21)28/h2-13H,14H2,1H3,(H2,25,27,28)
InChIKeyXQWCBEQTUAQPBW-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.19
Rot. Bonds4

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

7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one (PubChem CID 54718412) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one
PubChem CID54718412
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one
SMILESCN(Cc1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1)c1ccccc1
InChIInChI=1S/C23H19ClN2O2/c1-26(18-8-3-2-4-9-18)14-15-6-5-7-16(12-15)21-22(27)19-11-10-17(24)13-20(19)25-23(21)28/h2-13H,14H2,1H3,(H2,25,27,28)
InChIKeyXQWCBEQTUAQPBW-UHFFFAOYSA-N
XLogP5.19
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.19
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-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one (CID 54718412) is 7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one is CN(Cc1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1)c1ccccc1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one?
The InChIKey is XQWCBEQTUAQPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-26(18-8-3-2-4-9-18)14-15-6-5-7-16(12-15)21-22(27)19-11-10-17(24)13-20(19)25-23(21)28/h2-13H,14H2,1H3,(H2,25,27,28).
What are the key properties of 7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one has a molecular weight of 390.87 g/mol, XLogP of 5.19, 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-[(N-methylanilino)methyl]phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54718412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).