3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one

C19H20N2O3 — CID 943093

IUPAC3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCCOc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-24-16-6-4-15(5-7-16)20-12-14-10-13-11-17(23-2)8-9-18(13)21-19(14)22/h4-11,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyBLIPVHAPKJIOTQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.55
Rot. Bonds6

About 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one

3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 943093) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID943093
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCCOc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-24-16-6-4-15(5-7-16)20-12-14-10-13-11-17(23-2)8-9-18(13)21-19(14)22/h4-11,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyBLIPVHAPKJIOTQ-UHFFFAOYSA-N
XLogP3.55
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-[(4-ethoxyanilino)methyl]-6-methoxy-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 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one (CID 943093) is 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one is CCOc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is BLIPVHAPKJIOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-24-16-6-4-15(5-7-16)20-12-14-10-13-11-17(23-2)8-9-18(13)21-19(14)22/h4-11,20H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one?
3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 943093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).