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

C24H21ClN2O2 — CID 54736243

IUPAC7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESCN(C)c1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-27(2)19-9-6-15(7-10-19)12-16-4-3-5-17(13-16)22-23(28)20-11-8-18(25)14-21(20)26-24(22)29/h3-11,13-14H,12H2,1-2H3,(H2,26,28,29)
InChIKeyMFPJKJDIANWXIJ-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.21
Rot. Bonds4

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

7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 54736243) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one
PubChem CID54736243
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESCN(C)c1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-27(2)19-9-6-15(7-10-19)12-16-4-3-5-17(13-16)22-23(28)20-11-8-18(25)14-21(20)26-24(22)29/h3-11,13-14H,12H2,1-2H3,(H2,26,28,29)
InChIKeyMFPJKJDIANWXIJ-UHFFFAOYSA-N
XLogP5.21
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one (CID 54736243) is 7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one is CN(C)c1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1.
What is the InChIKey of 7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is MFPJKJDIANWXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-27(2)19-9-6-15(7-10-19)12-16-4-3-5-17(13-16)22-23(28)20-11-8-18(25)14-21(20)26-24(22)29/h3-11,13-14H,12H2,1-2H3,(H2,26,28,29).
What are the key properties of 7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one?
7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 404.90 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-[[4-(dimethylamino)phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54736243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).