ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate

C20H20FNO2 — CID 171920586

IUPACethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2F)N(CC)c2ccccc2C1
InChIInChI=1S/C20H20FNO2/c1-3-22-18-12-8-5-9-14(18)13-16(20(23)24-4-2)19(22)15-10-6-7-11-17(15)21/h5-12H,3-4,13H2,1-2H3
InChIKeyKRBQKGJMNPQGJW-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.18
Rot. Bonds4

About ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate

ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate (PubChem CID 171920586) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate
PubChem CID171920586
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Nameethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2F)N(CC)c2ccccc2C1
InChIInChI=1S/C20H20FNO2/c1-3-22-18-12-8-5-9-14(18)13-16(20(23)24-4-2)19(22)15-10-6-7-11-17(15)21/h5-12H,3-4,13H2,1-2H3
InChIKeyKRBQKGJMNPQGJW-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 854165
1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
CID 947929
Ethyl 6,7-difluoro-4-oxo-1-propylquinoline-3-carboxylate
CID 947969
Ethyl 1-allyl-7-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate
CID 1479570
Ethyl 6,7-difluoro-1-hexyl-4-oxoquinoline-3-carboxylate
CID 1904773
Ethyl 7-fluoro-1-(4-methylbenzyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylate
CID 1476760
3-Quinolinecarboxylic acid, 6-fluoro-4-hydroxy-2-phenyl-, ethyl ester
CID 3022163
Ethyl 6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)-1,4-dihydro-3-quinolinecarboxylate
CID 1716470
ethyl (4E)-6-fluoro-1-methyl-4-(4-phenylphenyl)imino-quinoline-3-carboxylate
CID 71680756
ethyl (4E)-1-ethyl-6-fluoro-4-(4-phenylphenyl)imino-quinoline-3-carboxylate
CID 71680757
6-Ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one
CID 118715255
ethyl 1-(4-fluorophenyl)-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 11439125

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate (CID 171920586) is ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate is CCOC(=O)C1=C(c2ccccc2F)N(CC)c2ccccc2C1.
What is the InChIKey of ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate?
The InChIKey is KRBQKGJMNPQGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-3-22-18-12-8-5-9-14(18)13-16(20(23)24-4-2)19(22)15-10-6-7-11-17(15)21/h5-12H,3-4,13H2,1-2H3.
What are the key properties of ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate?
ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate has a molecular weight of 325.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-(2-fluorophenyl)-4H-quinoline-3-carboxylate is sourced from PubChem (CID 171920586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).