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

C23H22FN3O3 — CID 139917108

IUPAC6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3C)c(F)c(N)n2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C23H22FN3O3/c1-10-18(13-5-6-15-11(2)26-9-14(15)7-13)19(24)21(25)27-20(10)16(12-3-4-12)8-17(22(27)28)23(29)30/h5-8,11-12,26H,3-4,9,25H2,1-2H3,(H,29,30)
InChIKeyOJQLWPSWQJZYRT-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.74
Rot. Bonds3

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

6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid (PubChem CID 139917108) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid
PubChem CID139917108
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3C)c(F)c(N)n2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C23H22FN3O3/c1-10-18(13-5-6-15-11(2)26-9-14(15)7-13)19(24)21(25)27-20(10)16(12-3-4-12)8-17(22(27)28)23(29)30/h5-8,11-12,26H,3-4,9,25H2,1-2H3,(H,29,30)
InChIKeyOJQLWPSWQJZYRT-UHFFFAOYSA-N
XLogP3.74
TPSA96.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.74
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-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid (CID 139917108) is 6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid is Cc1c(-c2ccc3c(c2)CNC3C)c(F)c(N)n2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is OJQLWPSWQJZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-10-18(13-5-6-15-11(2)26-9-14(15)7-13)19(24)21(25)27-20(10)16(12-3-4-12)8-17(22(27)28)23(29)30/h5-8,11-12,26H,3-4,9,25H2,1-2H3,(H,29,30).
What are the key properties of 6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
6-amino-1-cyclopropyl-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 407.45 g/mol, XLogP of 3.74, 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-7-fluoro-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 139917108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).