methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate

C19H17IN2O3 — CID 169207004

IUPACmethyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(I)cc2n(C(C)c2ccccc2)c1=O
InChIInChI=1S/C19H17IN2O3/c1-11(12-6-4-3-5-7-12)22-15-10-13(20)8-9-14(15)17(21)16(18(22)23)19(24)25-2/h3-11H,21H2,1-2H3
InChIKeyWLTHDDRXABNAOY-UHFFFAOYSA-N
MW448.26 g/mol
LogP3.58
Rot. Bonds3

About methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate

methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate (PubChem CID 169207004) has the molecular formula C19H17IN2O3 and a molecular weight of 448.26 g/mol. Its IUPAC name is methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate
PubChem CID169207004
Molecular FormulaC19H17IN2O3
Molecular Weight448.26 g/mol
Exact Mass448.03
IUPAC Namemethyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(I)cc2n(C(C)c2ccccc2)c1=O
InChIInChI=1S/C19H17IN2O3/c1-11(12-6-4-3-5-7-12)22-15-10-13(20)8-9-14(15)17(21)16(18(22)23)19(24)25-2/h3-11H,21H2,1-2H3
InChIKeyWLTHDDRXABNAOY-UHFFFAOYSA-N
XLogP3.58
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)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

methyl 4-amino-7-iodo-1-[(2-methylphenyl)methyl]-2-oxoquinoline-3-carboxylate
CID 169207298
tetramethyl 1-(1-phenylethyl)pyrrole-2,3,4,5-tetracarboxylate
CID 102592899
methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
methyl 4-amino-7-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207083
methyl 4-amino-1-[6-(1-hydroxyethyl)-3-pyridinyl]-7-iodo-2-oxoquinoline-3-carboxylate
CID 169207047
methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207377
methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate
CID 162518419
methyl 4-amino-1-(2-aminophenyl)-7-bromo-2-oxoquinoline-3-carboxylate
CID 169207070
methyl 4-amino-1-benzyl-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207175
4-(4-amino-7-bromo-3-methoxycarbonyl-2-oxoquinolin-1-yl)benzoic acid
CID 169207280
methyl 4-amino-6-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207169
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-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate (CID 169207004) is methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate is COC(=O)c1c(N)c2ccc(I)cc2n(C(C)c2ccccc2)c1=O.
What is the InChIKey of methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate?
The InChIKey is WLTHDDRXABNAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN2O3/c1-11(12-6-4-3-5-7-12)22-15-10-13(20)8-9-14(15)17(21)16(18(22)23)19(24)25-2/h3-11H,21H2,1-2H3.
What are the key properties of methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate?
methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate has a molecular weight of 448.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate is sourced from PubChem (CID 169207004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).