ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

C19H16BrNO4 — CID 71460682

IUPACethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C19H16BrNO4/c1-3-25-19(23)16-17(11-5-4-6-12(20)9-11)21-15-10-13(24-2)7-8-14(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyVHYIZNPRSUKFNM-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.14
Rot. Bonds4

About ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 71460682) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID71460682
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Nameethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C19H16BrNO4/c1-3-25-19(23)16-17(11-5-4-6-12(20)9-11)21-15-10-13(24-2)7-8-14(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyVHYIZNPRSUKFNM-UHFFFAOYSA-N
XLogP4.14
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Nequinate
CID 26383
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
6-Butyl-4-hydroxy-3-methoxycarbonyl-7-beta-phenoxyethoxyquinoline
CID 193550
ethyl 6-butyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 132553883
methyl 6-bromo-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 134603736
methyl 4-oxo-6-pentyl-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877888
methyl 6-ethyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877891
methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877893
methyl 4-oxo-7-(2-phenoxyethoxy)-6-propyl-1H-quinoline-3-carboxylate
CID 140877917
methyl 4-oxo-7-(3-phenylpropoxy)-1H-quinoline-3-carboxylate
CID 140877936
3-Bromo-7-methoxy-2-methylquinolin-4-ol
CID 44531217
ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 45103531

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 71460682) is ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is VHYIZNPRSUKFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4/c1-3-25-19(23)16-17(11-5-4-6-12(20)9-11)21-15-10-13(24-2)7-8-14(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 402.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71460682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).