methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate

C19H16ClNO3 — CID 118601550

IUPACmethyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate
SMILESCCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H16ClNO3/c1-3-14-17(19(23)24-2)21(13-7-5-4-6-8-13)16-11-12(20)9-10-15(16)18(14)22/h4-11H,3H2,1-2H3
InChIKeyCTOPRGPVKHFHOD-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.99
Rot. Bonds3

About methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate

methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate (PubChem CID 118601550) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate
PubChem CID118601550
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Namemethyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate
SMILESCCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H16ClNO3/c1-3-14-17(19(23)24-2)21(13-7-5-4-6-8-13)16-11-12(20)9-10-15(16)18(14)22/h4-11H,3H2,1-2H3
InChIKeyCTOPRGPVKHFHOD-UHFFFAOYSA-N
XLogP3.99
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate?
The IUPAC name of methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate (CID 118601550) is methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate?
The canonical SMILES for methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate is CCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O.
What is the InChIKey of methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate?
The InChIKey is CTOPRGPVKHFHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-3-14-17(19(23)24-2)21(13-7-5-4-6-8-13)16-11-12(20)9-10-15(16)18(14)22/h4-11H,3H2,1-2H3.
What are the key properties of methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate?
methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate has a molecular weight of 341.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate is sourced from PubChem (CID 118601550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).