ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate

C19H16ClNO4 — CID 69477265

IUPACethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(Cl)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H16ClNO4/c1-2-25-19(24)16-17(22)14-10-13(20)8-9-15(14)21(18(16)23)11-12-6-4-3-5-7-12/h3-10,22H,2,11H2,1H3
InChIKeyHMKFXVKPKXQEOO-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.59
Rot. Bonds4

About ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate

ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate (PubChem CID 69477265) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
PubChem CID69477265
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Nameethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(Cl)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H16ClNO4/c1-2-25-19(24)16-17(22)14-10-13(20)8-9-15(14)21(18(16)23)11-12-6-4-3-5-7-12/h3-10,22H,2,11H2,1H3
InChIKeyHMKFXVKPKXQEOO-UHFFFAOYSA-N
XLogP3.59
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate (CID 69477265) is ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(O)c2cc(Cl)ccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate?
The InChIKey is HMKFXVKPKXQEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-2-25-19(24)16-17(22)14-10-13(20)8-9-15(14)21(18(16)23)11-12-6-4-3-5-7-12/h3-10,22H,2,11H2,1H3.
What are the key properties of ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate?
ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate has a molecular weight of 357.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 69477265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).