ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate

C19H15ClFNO3 — CID 171485774

IUPACethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(Cc3ccc(F)cc3Cl)cc2c1=O
InChIInChI=1S/C19H15ClFNO3/c1-2-25-19(24)15-10-22-17-6-3-11(8-14(17)18(15)23)7-12-4-5-13(21)9-16(12)20/h3-6,8-10H,2,7H2,1H3,(H,22,23)
InChIKeySNIRYVRLQNFGJV-UHFFFAOYSA-N
MW359.78 g/mol
LogP4.09
Rot. Bonds4

About ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 171485774) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
PubChem CID171485774
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Nameethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(Cc3ccc(F)cc3Cl)cc2c1=O
InChIInChI=1S/C19H15ClFNO3/c1-2-25-19(24)15-10-22-17-6-3-11(8-14(17)18(15)23)7-12-4-5-13(21)9-16(12)20/h3-6,8-10H,2,7H2,1H3,(H,22,23)
InChIKeySNIRYVRLQNFGJV-UHFFFAOYSA-N
XLogP4.09
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 118578466
ethyl 7-chloro-6-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733849
ethyl 4-[3-(2-chloro-4-fluorophenyl)-2-oxopropyl]benzoate
CID 159545809
3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 25235216
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 2-chloro-4-[3-(4-fluorophenyl)-2-oxopropyl]benzoate
CID 147606579
ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
ethyl 4-oxo-6-(trifluoromethylamino)-1H-quinoline-3-carboxylate
CID 162518104
ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39850158
ethyl 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 14519549
ethyl 7-chloro-6-(4-chlorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 1069432
pentan-3-yl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11716193

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate (CID 171485774) is ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2ccc(Cc3ccc(F)cc3Cl)cc2c1=O.
What is the InChIKey of ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is SNIRYVRLQNFGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3/c1-2-25-19(24)15-10-22-17-6-3-11(8-14(17)18(15)23)7-12-4-5-13(21)9-16(12)20/h3-6,8-10H,2,7H2,1H3,(H,22,23).
What are the key properties of ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 359.78 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 171485774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).