1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

C22H19FN2O3 — CID 10199646

IUPAC1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C22H19FN2O3/c1-11-19(13-4-5-14-8-24-9-15(14)6-13)18(23)10-25-20(11)16(12-2-3-12)7-17(21(25)26)22(27)28/h4-7,10,12,24H,2-3,8-9H2,1H3,(H,27,28)
InChIKeyLSQATLCBDFHUIY-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.59
Rot. Bonds3

About 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 10199646) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID10199646
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C22H19FN2O3/c1-11-19(13-4-5-14-8-24-9-15(14)6-13)18(23)10-25-20(11)16(12-2-3-12)7-17(21(25)26)22(27)28/h4-7,10,12,24H,2-3,8-9H2,1H3,(H,27,28)
InChIKeyLSQATLCBDFHUIY-UHFFFAOYSA-N
XLogP3.59
TPSA70.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 10199646) is 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1c(-c2ccc3c(c2)CNC3)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is LSQATLCBDFHUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-11-19(13-4-5-14-8-24-9-15(14)6-13)18(23)10-25-20(11)16(12-2-3-12)7-17(21(25)26)22(27)28/h4-7,10,12,24H,2-3,8-9H2,1H3,(H,27,28).
What are the key properties of 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 378.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 10199646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).