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

C23H20F2N2O3 — CID 139917094

IUPAC7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3F)c12
InChIInChI=1S/C23H20F2N2O3/c1-10-20(12-3-4-14-11(2)26-8-13(14)5-12)19(25)9-27-21(10)16(15-7-18(15)24)6-17(22(27)28)23(29)30/h3-6,9,11,15,18,26H,7-8H2,1-2H3,(H,29,30)
InChIKeyDHKXVWAABDLMOR-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.10
Rot. Bonds3

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

7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid (PubChem CID 139917094) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is 7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid
PubChem CID139917094
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3F)c12
InChIInChI=1S/C23H20F2N2O3/c1-10-20(12-3-4-14-11(2)26-8-13(14)5-12)19(25)9-27-21(10)16(15-7-18(15)24)6-17(22(27)28)23(29)30/h3-6,9,11,15,18,26H,7-8H2,1-2H3,(H,29,30)
InChIKeyDHKXVWAABDLMOR-UHFFFAOYSA-N
XLogP4.10
TPSA70.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid (CID 139917094) is 7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid is Cc1c(-c2ccc3c(c2)CNC3C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3F)c12.
What is the InChIKey of 7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is DHKXVWAABDLMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-10-20(12-3-4-14-11(2)26-8-13(14)5-12)19(25)9-27-21(10)16(15-7-18(15)24)6-17(22(27)28)23(29)30/h3-6,9,11,15,18,26H,7-8H2,1-2H3,(H,29,30).
What are the key properties of 7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 410.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(2-fluorocyclopropyl)-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 139917094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).