5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid

C18H12FN3O3 — CID 54583614

IUPAC5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc3[nH]ncc3c2)c2cccc(F)c2c1=O
InChIInChI=1S/C18H12FN3O3/c19-13-2-1-3-15-16(13)17(23)12(18(24)25)9-22(15)8-10-4-5-14-11(6-10)7-20-21-14/h1-7,9H,8H2,(H,20,21)(H,24,25)
InChIKeyMXXTZXZLRZOUKF-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.76
Rot. Bonds3

About 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid

5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 54583614) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID54583614
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc3[nH]ncc3c2)c2cccc(F)c2c1=O
InChIInChI=1S/C18H12FN3O3/c19-13-2-1-3-15-16(13)17(23)12(18(24)25)9-22(15)8-10-4-5-14-11(6-10)7-20-21-14/h1-7,9H,8H2,(H,20,21)(H,24,25)
InChIKeyMXXTZXZLRZOUKF-UHFFFAOYSA-N
XLogP2.76
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid (CID 54583614) is 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc3[nH]ncc3c2)c2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MXXTZXZLRZOUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c19-13-2-1-3-15-16(13)17(23)12(18(24)25)9-22(15)8-10-4-5-14-11(6-10)7-20-21-14/h1-7,9H,8H2,(H,20,21)(H,24,25).
What are the key properties of 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid?
5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 337.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1H-indazol-5-ylmethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 54583614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).