methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate

C17H11BrClFN2O3 — CID 169207152

IUPACmethyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2cc(F)c(Br)cc2n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H11BrClFN2O3/c1-25-17(24)14-15(21)10-6-12(20)11(18)7-13(10)22(16(14)23)9-4-2-8(19)3-5-9/h2-7H,21H2,1H3
InChIKeyNLUHPNYGKBZISK-UHFFFAOYSA-N
MW425.64 g/mol
LogP3.91
Rot. Bonds2

About methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate

methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate (PubChem CID 169207152) has the molecular formula C17H11BrClFN2O3 and a molecular weight of 425.64 g/mol. Its IUPAC name is methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate
PubChem CID169207152
Molecular FormulaC17H11BrClFN2O3
Molecular Weight425.64 g/mol
Exact Mass423.96
IUPAC Namemethyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2cc(F)c(Br)cc2n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H11BrClFN2O3/c1-25-17(24)14-15(21)10-6-12(20)11(18)7-13(10)22(16(14)23)9-4-2-8(19)3-5-9/h2-7H,21H2,1H3
InChIKeyNLUHPNYGKBZISK-UHFFFAOYSA-N
XLogP3.91
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.64
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate (CID 169207152) is methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate is COC(=O)c1c(N)c2cc(F)c(Br)cc2n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate?
The InChIKey is NLUHPNYGKBZISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClFN2O3/c1-25-17(24)14-15(21)10-6-12(20)11(18)7-13(10)22(16(14)23)9-4-2-8(19)3-5-9/h2-7H,21H2,1H3.
What are the key properties of methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate?
methyl 4-amino-7-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate has a molecular weight of 425.64 g/mol, XLogP of 3.91, 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-bromo-1-(4-chlorophenyl)-6-fluoro-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 169207152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).