[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate

C21H20FNO4 — CID 55469462

IUPAC[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C21H20FNO4/c1-26-17-9-10-19-16(13-17)6-4-12-23(19)20(24)14-27-21(25)11-8-15-5-2-3-7-18(15)22/h2-3,5,7-11,13H,4,6,12,14H2,1H3/b11-8+
InChIKeyNFYYOUBNGGISTQ-DHZHZOJOSA-N
MW369.39 g/mol
LogP3.37
Rot. Bonds5

About [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate

[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate (PubChem CID 55469462) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
PubChem CID55469462
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C21H20FNO4/c1-26-17-9-10-19-16(13-17)6-4-12-23(19)20(24)14-27-21(25)11-8-15-5-2-3-7-18(15)22/h2-3,5,7-11,13H,4,6,12,14H2,1H3/b11-8+
InChIKeyNFYYOUBNGGISTQ-DHZHZOJOSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate 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-Methoxy-2-oxo-1,2-dihydro-1-quinolineacetic acid
CID 13683078
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
6-(2-(indolin-1-yl)-2-oxoethoxy)-4-methyl-2H-chromen-2-one
CID 661971
4-(2-(4-(4-methoxyphenyl)piperazin-1-yl)-2-oxoethoxy)-2H-chromen-2-one
CID 118717726
2-methoxy-N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
CID 665226
2-methoxy-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(4-methylphenyl)acetamide
CID 665258
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-p-tolyloxy-ethanone
CID 668303
1-[3-(4-Methoxyphenyl)acryloyl]-1,2,3,4-tetrahydroquinoline
CID 898165
4-Ethyl-7-(2-oxo-2-(1,2,3,4-tetrahydroquinolyl)ethoxy)chromen-2-one
CID 1079187
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541660
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 2565746

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate (CID 55469462) is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate is COc1ccc2c(c1)CCCN2C(=O)COC(=O)/C=C/c1ccccc1F.
What is the InChIKey of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate?
The InChIKey is NFYYOUBNGGISTQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-26-17-9-10-19-16(13-17)6-4-12-23(19)20(24)14-27-21(25)11-8-15-5-2-3-7-18(15)22/h2-3,5,7-11,13H,4,6,12,14H2,1H3/b11-8+.
What are the key properties of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate?
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate has a molecular weight of 369.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 55469462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).