1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride

C20H25ClFN3O3 — CID 78192833

IUPAC1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
SMILESCc1c(N2CC(C)NC(C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl
InChIInChI=1S/C20H24FN3O3.ClH/c1-10-7-23(8-11(2)22-10)18-12(3)17-14(13-4-5-13)6-15(20(26)27)19(25)24(17)9-16(18)21;/h6,9-11,13,22H,4-5,7-8H2,1-3H3,(H,26,27);1H
InChIKeyUHGOAZOACOWZLR-UHFFFAOYSA-N
MW409.89 g/mol
LogP2.93
Rot. Bonds3

About 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride

1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride (PubChem CID 78192833) has the molecular formula C20H25ClFN3O3 and a molecular weight of 409.89 g/mol. Its IUPAC name is 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
PubChem CID78192833
Molecular FormulaC20H25ClFN3O3
Molecular Weight409.89 g/mol
Exact Mass409.16
IUPAC Name1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
SMILESCc1c(N2CC(C)NC(C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl
InChIInChI=1S/C20H24FN3O3.ClH/c1-10-7-23(8-11(2)22-10)18-12(3)17-14(13-4-5-13)6-15(20(26)27)19(25)24(17)9-16(18)21;/h6,9-11,13,22H,4-5,7-8H2,1-3H3,(H,26,27);1H
InChIKeyUHGOAZOACOWZLR-UHFFFAOYSA-N
XLogP2.93
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride (CID 78192833) is 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride is Cc1c(N2CC(C)NC(C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl.
What is the InChIKey of 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
The InChIKey is UHGOAZOACOWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3.ClH/c1-10-7-23(8-11(2)22-10)18-12(3)17-14(13-4-5-13)6-15(20(26)27)19(25)24(17)9-16(18)21;/h6,9-11,13,22H,4-5,7-8H2,1-3H3,(H,26,27);1H.
What are the key properties of 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride has a molecular weight of 409.89 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 78192833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).