6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one

C25H24N2O2 — CID 46950045

IUPAC6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CNc3ccc(OCc4ccccc4)cc3)cc2c1
InChIInChI=1S/C25H24N2O2/c1-2-18-8-13-24-20(14-18)15-21(25(28)27-24)16-26-22-9-11-23(12-10-22)29-17-19-6-4-3-5-7-19/h3-15,26H,2,16-17H2,1H3,(H,27,28)
InChIKeyFPNQOYKLZHFQCS-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.28
Rot. Bonds7

About 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one

6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one (PubChem CID 46950045) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one
PubChem CID46950045
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CNc3ccc(OCc4ccccc4)cc3)cc2c1
InChIInChI=1S/C25H24N2O2/c1-2-18-8-13-24-20(14-18)15-21(25(28)27-24)16-26-22-9-11-23(12-10-22)29-17-19-6-4-3-5-7-19/h3-15,26H,2,16-17H2,1H3,(H,27,28)
InChIKeyFPNQOYKLZHFQCS-UHFFFAOYSA-N
XLogP5.28
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-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

Related Compounds

6-ethyl-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 25361645
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 142237610
6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one
CID 3169171
6-tert-butyl-3-[(4-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 95855567
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one
CID 46950053
3-[[4-(3,5-dimethylpiperidin-1-yl)anilino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 11531553
3-[(1,3-benzodioxol-5-ylamino)methyl]-6-propyl-1H-quinolin-2-one
CID 95855587
3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
CID 82712733
N-[[2-(2-phenylethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799401
N-[(2-pentoxyphenyl)methyl]-4-phenylmethoxyaniline
CID 54799405

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one (CID 46950045) is 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CNc3ccc(OCc4ccccc4)cc3)cc2c1.
What is the InChIKey of 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one?
The InChIKey is FPNQOYKLZHFQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-18-8-13-24-20(14-18)15-21(25(28)27-24)16-26-22-9-11-23(12-10-22)29-17-19-6-4-3-5-7-19/h3-15,26H,2,16-17H2,1H3,(H,27,28).
What are the key properties of 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one?
6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one has a molecular weight of 384.48 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 46950045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).