7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid

C11H8FNO3 — CID 56633826

IUPAC7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid
SMILESCc1cc(F)cn2c(=O)ccc(C(=O)O)c12
InChIInChI=1S/C11H8FNO3/c1-6-4-7(12)5-13-9(14)3-2-8(10(6)13)11(15)16/h2-5H,1H3,(H,15,16)
InChIKeySMHSGMYRDNHIPE-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.45
Rot. Bonds1

About 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid

7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid (PubChem CID 56633826) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid
PubChem CID56633826
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid
SMILESCc1cc(F)cn2c(=O)ccc(C(=O)O)c12
InChIInChI=1S/C11H8FNO3/c1-6-4-7(12)5-13-9(14)3-2-8(10(6)13)11(15)16/h2-5H,1H3,(H,15,16)
InChIKeySMHSGMYRDNHIPE-UHFFFAOYSA-N
XLogP1.45
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid?
The IUPAC name of 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid (CID 56633826) is 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid.
What is the SMILES notation for 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid?
The canonical SMILES for 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid is Cc1cc(F)cn2c(=O)ccc(C(=O)O)c12.
What is the InChIKey of 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid?
The InChIKey is SMHSGMYRDNHIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-6-4-7(12)5-13-9(14)3-2-8(10(6)13)11(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid?
7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid is sourced from PubChem (CID 56633826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).