8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

C19H22FN3O4 — CID 512777

IUPAC8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCOC1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)CC1N
InChIInChI=1S/C19H22FN3O4/c1-9-16-11(10-3-4-10)5-12(19(25)26)18(24)23(16)6-13(20)17(9)22-7-14(21)15(8-22)27-2/h5-6,10,14-15H,3-4,7-8,21H2,1-2H3,(H,25,26)
InChIKeyOONBFUUKWHOVMZ-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.48
Rot. Bonds4

About 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 512777) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID512777
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCOC1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)CC1N
InChIInChI=1S/C19H22FN3O4/c1-9-16-11(10-3-4-10)5-12(19(25)26)18(24)23(16)6-13(20)17(9)22-7-14(21)15(8-22)27-2/h5-6,10,14-15H,3-4,7-8,21H2,1-2H3,(H,25,26)
InChIKeyOONBFUUKWHOVMZ-UHFFFAOYSA-N
XLogP1.48
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 512777) is 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is COC1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)CC1N.
What is the InChIKey of 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is OONBFUUKWHOVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-9-16-11(10-3-4-10)5-12(19(25)26)18(24)23(16)6-13(20)17(9)22-7-14(21)15(8-22)27-2/h5-6,10,14-15H,3-4,7-8,21H2,1-2H3,(H,25,26).
What are the key properties of 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 375.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 512777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).