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

C22H20FN3O3 — CID 139917209

IUPAC6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3)c(F)c(N)n2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C22H20FN3O3/c1-10-17(12-4-5-13-8-25-9-14(13)6-12)18(23)20(24)26-19(10)15(11-2-3-11)7-16(21(26)27)22(28)29/h4-7,11,25H,2-3,8-9,24H2,1H3,(H,28,29)
InChIKeySELJXVAZQHYAIL-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.18
Rot. Bonds3

About 6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 139917209) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID139917209
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3)c(F)c(N)n2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C22H20FN3O3/c1-10-17(12-4-5-13-8-25-9-14(13)6-12)18(23)20(24)26-19(10)15(11-2-3-11)7-16(21(26)27)22(28)29/h4-7,11,25H,2-3,8-9,24H2,1H3,(H,28,29)
InChIKeySELJXVAZQHYAIL-UHFFFAOYSA-N
XLogP3.18
TPSA96.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 139917209) is 6-amino-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 6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 6-amino-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)c(N)n2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is SELJXVAZQHYAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-10-17(12-4-5-13-8-25-9-14(13)6-12)18(23)20(24)26-19(10)15(11-2-3-11)7-16(21(26)27)22(28)29/h4-7,11,25H,2-3,8-9,24H2,1H3,(H,28,29).
What are the key properties of 6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 393.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-8-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 139917209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).