1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride

C23H23ClFN3O3 — CID 512785

IUPAC1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride
SMILESCc1c(N2CCC(c3ccccn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl
InChIInChI=1S/C23H22FN3O3.ClH/c1-13-20-16(14-5-6-14)10-17(23(29)30)22(28)27(20)12-18(24)21(13)26-9-7-15(11-26)19-4-2-3-8-25-19;/h2-4,8,10,12,14-15H,5-7,9,11H2,1H3,(H,29,30);1H
InChIKeyXICOOSAFDSFFJV-UHFFFAOYSA-N
MW443.91 g/mol
LogP4.13
Rot. Bonds4

About 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride

1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride (PubChem CID 512785) has the molecular formula C23H23ClFN3O3 and a molecular weight of 443.91 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride
PubChem CID512785
Molecular FormulaC23H23ClFN3O3
Molecular Weight443.91 g/mol
Exact Mass443.14
IUPAC Name1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride
SMILESCc1c(N2CCC(c3ccccn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl
InChIInChI=1S/C23H22FN3O3.ClH/c1-13-20-16(14-5-6-14)10-17(23(29)30)22(28)27(20)12-18(24)21(13)26-9-7-15(11-26)19-4-2-3-8-25-19;/h2-4,8,10,12,14-15H,5-7,9,11H2,1H3,(H,29,30);1H
InChIKeyXICOOSAFDSFFJV-UHFFFAOYSA-N
XLogP4.13
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride (CID 512785) is 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride is Cc1c(N2CCC(c3ccccn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl.
What is the InChIKey of 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride?
The InChIKey is XICOOSAFDSFFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3.ClH/c1-13-20-16(14-5-6-14)10-17(23(29)30)22(28)27(20)12-18(24)21(13)26-9-7-15(11-26)19-4-2-3-8-25-19;/h2-4,8,10,12,14-15H,5-7,9,11H2,1H3,(H,29,30);1H.
What are the key properties of 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride?
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride has a molecular weight of 443.91 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 512785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).