5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid

C19H14FN3O3 — CID 54581661

IUPAC5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid
SMILESCn1ncc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21
InChIInChI=1S/C19H14FN3O3/c1-22-15-6-5-11(7-12(15)8-21-22)9-23-10-13(19(25)26)18(24)17-14(20)3-2-4-16(17)23/h2-8,10H,9H2,1H3,(H,25,26)
InChIKeyIINNYDBIZMTPEV-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.77
Rot. Bonds3

About 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid

5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 54581661) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID54581661
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid
SMILESCn1ncc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21
InChIInChI=1S/C19H14FN3O3/c1-22-15-6-5-11(7-12(15)8-21-22)9-23-10-13(19(25)26)18(24)17-14(20)3-2-4-16(17)23/h2-8,10H,9H2,1H3,(H,25,26)
InChIKeyIINNYDBIZMTPEV-UHFFFAOYSA-N
XLogP2.77
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid (CID 54581661) is 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid is Cn1ncc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21.
What is the InChIKey of 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is IINNYDBIZMTPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c1-22-15-6-5-11(7-12(15)8-21-22)9-23-10-13(19(25)26)18(24)17-14(20)3-2-4-16(17)23/h2-8,10H,9H2,1H3,(H,25,26).
What are the key properties of 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid?
5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 351.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 54581661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).