1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one

C18H17NO3 — CID 87497461

IUPAC1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(OCc3ccccc3)cc2N1C1CO1
InChIInChI=1S/C18H17NO3/c20-17-9-7-14-6-8-15(10-16(14)19(17)18-12-22-18)21-11-13-4-2-1-3-5-13/h1-6,8,10,18H,7,9,11-12H2
InChIKeyWPQZUXGUCBHJPC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.90
Rot. Bonds4

About 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one

1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one (PubChem CID 87497461) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one
PubChem CID87497461
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(OCc3ccccc3)cc2N1C1CO1
InChIInChI=1S/C18H17NO3/c20-17-9-7-14-6-8-15(10-16(14)19(17)18-12-22-18)21-11-13-4-2-1-3-5-13/h1-6,8,10,18H,7,9,11-12H2
InChIKeyWPQZUXGUCBHJPC-UHFFFAOYSA-N
XLogP2.90
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-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

3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
(3S,3aR)-3-(methoxymethyl)-7-phenylmethoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 22874123
(3aR,9bR)-2-benzyl-8-phenylmethoxy-3,3a,5,9b-tetrahydroisochromeno[3,4-c]pyrrol-1-one
CID 59448536
1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
CID 90654937
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614
CID 176987273
CID 176987273
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
4-phenylmethoxypyran-2-one
CID 16637546
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
6-amino-1-methyl-7-(4-phenylmethoxyphenyl)azepan-2-one
CID 113235020
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one (CID 87497461) is 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one is O=C1CCc2ccc(OCc3ccccc3)cc2N1C1CO1.
What is the InChIKey of 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one?
The InChIKey is WPQZUXGUCBHJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17-9-7-14-6-8-15(10-16(14)19(17)18-12-22-18)21-11-13-4-2-1-3-5-13/h1-6,8,10,18H,7,9,11-12H2.
What are the key properties of 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one?
1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 87497461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).