5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one

C27H34N2O6 — CID 70576617

IUPAC5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one
SMILESCC#COc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)c2c1N(CC)C(=O)CC2
InChIInChI=1S/C27H34N2O6/c1-5-15-34-24-11-10-22(21-8-12-26(31)29(6-2)27(21)24)35-18-20(30)17-28-14-13-19-7-9-23(32-3)25(16-19)33-4/h7,9-11,16,20,28,30H,6,8,12-14,17-18H2,1-4H3
InChIKeyUKISVRGQBSBXDI-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.93
Rot. Bonds12

About 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one

5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one (PubChem CID 70576617) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one
PubChem CID70576617
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one
SMILESCC#COc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)c2c1N(CC)C(=O)CC2
InChIInChI=1S/C27H34N2O6/c1-5-15-34-24-11-10-22(21-8-12-26(31)29(6-2)27(21)24)35-18-20(30)17-28-14-13-19-7-9-23(32-3)25(16-19)33-4/h7,9-11,16,20,28,30H,6,8,12-14,17-18H2,1-4H3
InChIKeyUKISVRGQBSBXDI-UHFFFAOYSA-N
XLogP2.93
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-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

5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-methyl-8-prop-2-enoxy-3,4-dihydroquinolin-2-one
CID 70581346
8-but-2-ynoxy-5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20570374
5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-pent-2-ynoxy-3,4-dihydro-1H-quinolin-2-one
CID 20570428
ethyl N-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]carbamate;hydrochloride
CID 21326405
4-[[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]oxy]butanamide
CID 20570412
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 8017015
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methoxypyrazin-2-yl)oxypropan-2-ol
CID 154279168
(2S)-1-(4-chlorophenoxy)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol
CID 2293457
(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 2293480
N-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclohexanecarboxamide
CID 21326302
7-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3,4,8-trimethylchromen-2-one;hydrochloride
CID 75366065
1-[2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-5-(propoxymethyl)phenyl]ethanone
CID 11114434

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one (CID 70576617) is 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one is CC#COc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)c2c1N(CC)C(=O)CC2.
What is the InChIKey of 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one?
The InChIKey is UKISVRGQBSBXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-5-15-34-24-11-10-22(21-8-12-26(31)29(6-2)27(21)24)35-18-20(30)17-28-14-13-19-7-9-23(32-3)25(16-19)33-4/h7,9-11,16,20,28,30H,6,8,12-14,17-18H2,1-4H3.
What are the key properties of 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one?
5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one has a molecular weight of 482.58 g/mol, XLogP of 2.93, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1-ethyl-8-prop-1-ynoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 70576617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).