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

C23H21FN2O3 — CID 139917182

IUPAC1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CN[C@@H]3C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C23H21FN2O3/c1-11-20(14-5-6-16-12(2)25-9-15(16)7-14)19(24)10-26-21(11)17(13-3-4-13)8-18(22(26)27)23(28)29/h5-8,10,12-13,25H,3-4,9H2,1-2H3,(H,28,29)/t12-/m1/s1
InChIKeyZOHOOSKHDGHKIY-GFCCVEGCSA-N
MW392.43 g/mol
LogP4.15
Rot. Bonds3

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

1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid (PubChem CID 139917182) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid
PubChem CID139917182
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CN[C@@H]3C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C23H21FN2O3/c1-11-20(14-5-6-16-12(2)25-9-15(16)7-14)19(24)10-26-21(11)17(13-3-4-13)8-18(22(26)27)23(28)29/h5-8,10,12-13,25H,3-4,9H2,1-2H3,(H,28,29)/t12-/m1/s1
InChIKeyZOHOOSKHDGHKIY-GFCCVEGCSA-N
XLogP4.15
TPSA70.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid (CID 139917182) is 1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid is Cc1c(-c2ccc3c(c2)CN[C@@H]3C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is ZOHOOSKHDGHKIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-11-20(14-5-6-16-12(2)25-9-15(16)7-14)19(24)10-26-21(11)17(13-3-4-13)8-18(22(26)27)23(28)29/h5-8,10,12-13,25H,3-4,9H2,1-2H3,(H,28,29)/t12-/m1/s1.
What are the key properties of 1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 392.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-9-methyl-8-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 139917182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).