methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate

C15H13BrFNO4 — CID 118864749

IUPACmethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(F)c(Br)c(OC)c2n(C2CC2)c1=O
InChIInChI=1S/C15H13BrFNO4/c1-21-13-11(16)10(17)6-7-5-9(15(20)22-2)14(19)18(12(7)13)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyAHAQJOKHCHULIJ-UHFFFAOYSA-N
MW370.17 g/mol
LogP3.03
Rot. Bonds3

About methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate

methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate (PubChem CID 118864749) has the molecular formula C15H13BrFNO4 and a molecular weight of 370.17 g/mol. Its IUPAC name is methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate
PubChem CID118864749
Molecular FormulaC15H13BrFNO4
Molecular Weight370.17 g/mol
Exact Mass369.00
IUPAC Namemethyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(F)c(Br)c(OC)c2n(C2CC2)c1=O
InChIInChI=1S/C15H13BrFNO4/c1-21-13-11(16)10(17)6-7-5-9(15(20)22-2)14(19)18(12(7)13)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyAHAQJOKHCHULIJ-UHFFFAOYSA-N
XLogP3.03
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid
CID 67593009
methyl (2S)-6-bromo-7-methoxy-2-methyl-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate
CID 140940885
methyl 4-bromo-2,3,5-trifluorobenzoate
CID 122620788
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514
1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
CID 118864628
7-bromo-1-cyclopropyl-8-(difluoromethoxy)-2-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 68992227
methyl 2-bromo-4-methoxy-3,5-dimethylbenzoate
CID 57495652
methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate
CID 135369836
methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864520
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864696
1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
CID 118864560
methyl 3-cyclopropyl-2-(5-fluoro-3-pyridinyl)benzimidazole-4-carboxylate
CID 121458681

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate (CID 118864749) is methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate is COC(=O)c1cc2cc(F)c(Br)c(OC)c2n(C2CC2)c1=O.
What is the InChIKey of methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate?
The InChIKey is AHAQJOKHCHULIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO4/c1-21-13-11(16)10(17)6-7-5-9(15(20)22-2)14(19)18(12(7)13)8-3-4-8/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate?
methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate has a molecular weight of 370.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 118864749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).