4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid

C17H14BrNO4 — CID 59316609

IUPAC4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid
SMILESO=C1CCc2cc(Br)c(OCc3ccc(C(=O)O)cc3)cc2N1
InChIInChI=1S/C17H14BrNO4/c18-13-7-12-5-6-16(20)19-14(12)8-15(13)23-9-10-1-3-11(4-2-10)17(21)22/h1-4,7-8H,5-6,9H2,(H,19,20)(H,21,22)
InChIKeyLVSNHAOSZHGGQO-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.61
Rot. Bonds4

About 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid

4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid (PubChem CID 59316609) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid
PubChem CID59316609
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Name4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid
SMILESO=C1CCc2cc(Br)c(OCc3ccc(C(=O)O)cc3)cc2N1
InChIInChI=1S/C17H14BrNO4/c18-13-7-12-5-6-16(20)19-14(12)8-15(13)23-9-10-1-3-11(4-2-10)17(21)22/h1-4,7-8H,5-6,9H2,(H,19,20)(H,21,22)
InChIKeyLVSNHAOSZHGGQO-UHFFFAOYSA-N
XLogP3.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid?
The IUPAC name of 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid (CID 59316609) is 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid.
What is the SMILES notation for 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid?
The canonical SMILES for 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid is O=C1CCc2cc(Br)c(OCc3ccc(C(=O)O)cc3)cc2N1.
What is the InChIKey of 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid?
The InChIKey is LVSNHAOSZHGGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c18-13-7-12-5-6-16(20)19-14(12)8-15(13)23-9-10-1-3-11(4-2-10)17(21)22/h1-4,7-8H,5-6,9H2,(H,19,20)(H,21,22).
What are the key properties of 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid?
4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid has a molecular weight of 376.21 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid is sourced from PubChem (CID 59316609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).