1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

C14H12FNO3 — CID 19067108

IUPAC1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1cc(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C14H12FNO3/c1-7-4-9(15)6-16-12(7)10(8-2-3-8)5-11(13(16)17)14(18)19/h4-6,8H,2-3H2,1H3,(H,18,19)
InChIKeyRDTIMLPIGKFRFN-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.32
Rot. Bonds2

About 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 19067108) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID19067108
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1cc(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C14H12FNO3/c1-7-4-9(15)6-16-12(7)10(8-2-3-8)5-11(13(16)17)14(18)19/h4-6,8H,2-3H2,1H3,(H,18,19)
InChIKeyRDTIMLPIGKFRFN-UHFFFAOYSA-N
XLogP2.32
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 19067108) is 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1cc(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is RDTIMLPIGKFRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-7-4-9(15)6-16-12(7)10(8-2-3-8)5-11(13(16)17)14(18)19/h4-6,8H,2-3H2,1H3,(H,18,19).
What are the key properties of 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 19067108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).