ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate

C23H19NO2 — CID 769190

IUPACethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate
SMILESCCOC(=O)Cc1cc(-c2ccccc2)nc2ccc3ccccc3c12
InChIInChI=1S/C23H19NO2/c1-2-26-22(25)15-18-14-21(17-9-4-3-5-10-17)24-20-13-12-16-8-6-7-11-19(16)23(18)20/h3-14H,2,15H2,1H3
InChIKeyZRGGCROIJCTSEM-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.16
Rot. Bonds4

About ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate

ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate (PubChem CID 769190) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate
PubChem CID769190
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Nameethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate
SMILESCCOC(=O)Cc1cc(-c2ccccc2)nc2ccc3ccccc3c12
InChIInChI=1S/C23H19NO2/c1-2-26-22(25)15-18-14-21(17-9-4-3-5-10-17)24-20-13-12-16-8-6-7-11-19(16)23(18)20/h3-14H,2,15H2,1H3
InChIKeyZRGGCROIJCTSEM-UHFFFAOYSA-N
XLogP5.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Neocinchophen
CID 68089
US9132129, Cpd002
CID 69673878
2-[3-methyl-1-(p-tolyl)-8,9-dihydro-7H-cyclopenta[f]quinolin-2-yl]pentanoic acid
CID 69673439
[3-(4-Fluoro-phenyl)-benzo[f]quinolin-1-yl]-acetic acid ethyl ester
CID 1049966
(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-(7-methylquinolin-2-yl)ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
CID 44408616
(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-(8-methylquinolin-2-yl)ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
CID 44408711
(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(quinolin-2-yl)vinyl)-decahydronaphtho[2,3-c]furan-1(3H)-one
CID 44408851
(+)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(6-(3-(trifluoromethyl)phenyl)quinolin-2-yl)vinyl)-decahydronaphtho[2,3-c]furan-1(3H)-one
CID 44409033
(3aS,4S,4aS,9aR)-4-(2-(quinolin-2-yl)vinyl)-3,3a,4,4a,5,6,7,8-octahydronaphtho[2,3-c]furan-1(9aH)-one
CID 44416542
(3R,3aS,4S,4aS,9aR)-3-methyl-4-(2-(quinolin-2-yl)vinyl)-3,3a,4,4a,5,6,7,8-octahydronaphtho[2,3-c]furan-1(9aH)-one
CID 44416690
Methyl 3-(8,20-dimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaen-16-yl)propanoate iodide
CID 10229307
2-[2-Methyl-4-(p-tolyl)-6,7,8,9-tetrahydrobenzo[g]quinolin-3-yl]pentanoic acid
CID 57331759

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate (CID 769190) is ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate is CCOC(=O)Cc1cc(-c2ccccc2)nc2ccc3ccccc3c12.
What is the InChIKey of ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate?
The InChIKey is ZRGGCROIJCTSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-2-26-22(25)15-18-14-21(17-9-4-3-5-10-17)24-20-13-12-16-8-6-7-11-19(16)23(18)20/h3-14H,2,15H2,1H3.
What are the key properties of ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate?
ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate has a molecular weight of 341.41 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-phenylbenzo[f]quinolin-1-yl)acetate is sourced from PubChem (CID 769190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).