ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate

C18H14ClNO3 — CID 3022165

IUPACethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H14ClNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-10-12(19)8-9-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyMVCXZXPDIFBHMJ-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.03
Rot. Bonds3

About ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate

ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate (PubChem CID 3022165) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
PubChem CID3022165
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Nameethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H14ClNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-10-12(19)8-9-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyMVCXZXPDIFBHMJ-UHFFFAOYSA-N
XLogP4.03
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate (CID 3022165) is ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The InChIKey is MVCXZXPDIFBHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-10-12(19)8-9-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate is sourced from PubChem (CID 3022165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).