methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate

C17H12Cl2N2O3 — CID 162518419

IUPACmethyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(Cl)cc2n(-c2ccccc2Cl)c1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-24-17(23)14-15(20)10-7-6-9(18)8-13(10)21(16(14)22)12-5-3-2-4-11(12)19/h2-8H,20H2,1H3
InChIKeyAIHQNZNGWFFTMY-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.67
Rot. Bonds2

About methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate

methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate (PubChem CID 162518419) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate
PubChem CID162518419
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Namemethyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(Cl)cc2n(-c2ccccc2Cl)c1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-24-17(23)14-15(20)10-7-6-9(18)8-13(10)21(16(14)22)12-5-3-2-4-11(12)19/h2-8H,20H2,1H3
InChIKeyAIHQNZNGWFFTMY-UHFFFAOYSA-N
XLogP3.67
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-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

methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
methyl 4-amino-7-bromo-1-(4-chloro-2-methylphenyl)-2-oxoquinoline-3-carboxylate
CID 169207198
methyl 4-amino-1-(2-aminophenyl)-7-bromo-2-oxoquinoline-3-carboxylate
CID 169207070
methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207377
methyl 4-amino-7-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207083
methyl 4-amino-7-bromo-1-(2-methyl-3-pyridinyl)-2-oxoquinoline-3-carboxylate
CID 169206986
tetramethyl 1-(2-chlorophenyl)pyrrole-2,3,4,5-tetracarboxylate
CID 44632136
methyl 4-amino-1-(1H-indol-4-yl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207061
methyl 4-amino-1-[4-(1-hydroxyethyl)naphthalen-1-yl]-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207179
methyl 4-amino-7-bromo-1-(6-chloro-3-pyridinyl)-2-oxoquinoline-3-carboxylate
CID 176819903
methyl 4-amino-1-(6-amino-2-methyl-3-pyridinyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207365
methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate
CID 169207093

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate (CID 162518419) is methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate is COC(=O)c1c(N)c2ccc(Cl)cc2n(-c2ccccc2Cl)c1=O.
What is the InChIKey of methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate?
The InChIKey is AIHQNZNGWFFTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-24-17(23)14-15(20)10-7-6-9(18)8-13(10)21(16(14)22)12-5-3-2-4-11(12)19/h2-8H,20H2,1H3.
What are the key properties of methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate?
methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate has a molecular weight of 363.20 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 162518419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).