7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one

C19H19ClN2O2 — CID 54735581

IUPAC7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(N(C)C)c3)c(O)c12
InChIInChI=1S/C19H19ClN2O2/c1-4-11-8-13(20)10-15-16(11)18(23)17(19(24)21-15)12-6-5-7-14(9-12)22(2)3/h5-10H,4H2,1-3H3,(H2,21,23,24)
InChIKeySZUUXZDGNBZCEF-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.18
Rot. Bonds3

About 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one

7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one (PubChem CID 54735581) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one
PubChem CID54735581
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(N(C)C)c3)c(O)c12
InChIInChI=1S/C19H19ClN2O2/c1-4-11-8-13(20)10-15-16(11)18(23)17(19(24)21-15)12-6-5-7-14(9-12)22(2)3/h5-10H,4H2,1-3H3,(H2,21,23,24)
InChIKeySZUUXZDGNBZCEF-UHFFFAOYSA-N
XLogP4.18
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one (CID 54735581) is 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one is CCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(N(C)C)c3)c(O)c12.
What is the InChIKey of 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one?
The InChIKey is SZUUXZDGNBZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-4-11-8-13(20)10-15-16(11)18(23)17(19(24)21-15)12-6-5-7-14(9-12)22(2)3/h5-10H,4H2,1-3H3,(H2,21,23,24).
What are the key properties of 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one?
7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one has a molecular weight of 342.83 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54735581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).