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

C17H13ClN2O3 — CID 169207153

IUPACmethyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(Cl)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H13ClN2O3/c1-23-17(22)14-15(19)12-8-7-10(18)9-13(12)20(16(14)21)11-5-3-2-4-6-11/h2-9H,19H2,1H3
InChIKeyNTMUPSAOOGOEGW-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.01
Rot. Bonds2

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

methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate (PubChem CID 169207153) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
PubChem CID169207153
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Namemethyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(Cl)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H13ClN2O3/c1-23-17(22)14-15(19)12-8-7-10(18)9-13(12)20(16(14)21)11-5-3-2-4-6-11/h2-9H,19H2,1H3
InChIKeyNTMUPSAOOGOEGW-UHFFFAOYSA-N
XLogP3.01
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-7-chloro-1-(2-chlorophenyl)-2-oxoquinoline-3-carboxylate
CID 162518419
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-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
4-(4-amino-7-bromo-3-methoxycarbonyl-2-oxoquinolin-1-yl)benzoic acid
CID 169207280
methyl 4-amino-7-bromo-1-(4-chloro-2-methylphenyl)-2-oxoquinoline-3-carboxylate
CID 169207198
methyl 4-amino-1-(4-hydroxyphenyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207314
methyl 4-amino-7-bromo-1-(6-chloro-3-pyridinyl)-2-oxoquinoline-3-carboxylate
CID 176819903
methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate
CID 118601550
methyl 4-amino-1-(2-aminophenyl)-7-bromo-2-oxoquinoline-3-carboxylate
CID 169207070
methyl 4-amino-7-iodo-2-oxo-1-(1-phenylethyl)quinoline-3-carboxylate
CID 169207004

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate (CID 169207153) is methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate is COC(=O)c1c(N)c2ccc(Cl)cc2n(-c2ccccc2)c1=O.
What is the InChIKey of methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate?
The InChIKey is NTMUPSAOOGOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-17(22)14-15(19)12-8-7-10(18)9-13(12)20(16(14)21)11-5-3-2-4-6-11/h2-9H,19H2,1H3.
What are the key properties of methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate?
methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate has a molecular weight of 328.76 g/mol, XLogP of 3.01, 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-2-oxo-1-phenylquinoline-3-carboxylate is sourced from PubChem (CID 169207153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).