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6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid

C24H16ClFN2O4 — CID 167509393

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(O)cc2F)c2cc(N3Cc4ccccc4C3)c(Cl)cc2c1=O
InChIInChI=1S/C24H16ClFN2O4/c25-18-8-16-21(9-22(18)27-10-13-3-1-2-4-14(13)11-27)28(12-17(23(16)30)24(31)32)20-6-5-15(29)7-19(20)26/h1-9,12,29H,10-11H2,(H,31,32)
InChIKeyGONWVFYNFMPADW-UHFFFAOYSA-N
MW450.85 g/mol
LogP4.71
Rot. Bonds3

About 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid

6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 167509393) has the molecular formula C24H16ClFN2O4 and a molecular weight of 450.85 g/mol. Its IUPAC name is 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID167509393
Molecular FormulaC24H16ClFN2O4
Molecular Weight450.85 g/mol
Exact Mass450.08
IUPAC Name6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(O)cc2F)c2cc(N3Cc4ccccc4C3)c(Cl)cc2c1=O
InChIInChI=1S/C24H16ClFN2O4/c25-18-8-16-21(9-22(18)27-10-13-3-1-2-4-14(13)11-27)28(12-17(23(16)30)24(31)32)20-6-5-15(29)7-19(20)26/h1-9,12,29H,10-11H2,(H,31,32)
InChIKeyGONWVFYNFMPADW-UHFFFAOYSA-N
XLogP4.71
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.85
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid (CID 167509393) is 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(-c2ccc(O)cc2F)c2cc(N3Cc4ccccc4C3)c(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is GONWVFYNFMPADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN2O4/c25-18-8-16-21(9-22(18)27-10-13-3-1-2-4-14(13)11-27)28(12-17(23(16)30)24(31)32)20-6-5-15(29)7-19(20)26/h1-9,12,29H,10-11H2,(H,31,32).
What are the key properties of 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?
6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 450.85 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 167509393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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