1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride

C18H19ClF2N2O3 — CID 139719077

IUPAC1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride
SMILESCC1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2F)C1.Cl
InChIInChI=1S/C18H18F2N2O3.ClH/c1-9-4-5-21(7-9)16-13(19)8-22-15(14(16)20)11(10-2-3-10)6-12(17(22)23)18(24)25;/h6,8-10H,2-5,7H2,1H3,(H,24,25);1H
InChIKeyNNMCTIVVUVKNIX-UHFFFAOYSA-N
MW384.81 g/mol
LogP3.42
Rot. Bonds3

About 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride

1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride (PubChem CID 139719077) has the molecular formula C18H19ClF2N2O3 and a molecular weight of 384.81 g/mol. Its IUPAC name is 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride
PubChem CID139719077
Molecular FormulaC18H19ClF2N2O3
Molecular Weight384.81 g/mol
Exact Mass384.11
IUPAC Name1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride
SMILESCC1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2F)C1.Cl
InChIInChI=1S/C18H18F2N2O3.ClH/c1-9-4-5-21(7-9)16-13(19)8-22-15(14(16)20)11(10-2-3-10)6-12(17(22)23)18(24)25;/h6,8-10H,2-5,7H2,1H3,(H,24,25);1H
InChIKeyNNMCTIVVUVKNIX-UHFFFAOYSA-N
XLogP3.42
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-cyclopropyl-7-fluoro-9-methyl-8-(3-methylpiperidin-1-yl)-4-oxoquinolizine-3-carboxylic acid
CID 123768634
1-cyclopropyl-7-fluoro-9-methyl-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 139719071
1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 78192833
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-piperidin-4-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid
CID 58593101
8-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 22211272
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-piperazin-1-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid
CID 58593096
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-pyridin-2-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid;hydrochloride
CID 512785
8-(3-amino-3,6-dihydro-2H-pyridin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 10668306
[(3R,4S)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxoquinolizin-2-yl)-4-cyclopropylpyrrolidin-3-yl]azanium chloride
CID 10598295
[(3S)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxoquinolizin-2-yl)pyrrolidin-3-yl]-(2-methoxyethyl)azanium chloride
CID 10717921
8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 512777
8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 19691519

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride (CID 139719077) is 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride is CC1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2F)C1.Cl.
What is the InChIKey of 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
The InChIKey is NNMCTIVVUVKNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3.ClH/c1-9-4-5-21(7-9)16-13(19)8-22-15(14(16)20)11(10-2-3-10)6-12(17(22)23)18(24)25;/h6,8-10H,2-5,7H2,1H3,(H,24,25);1H.
What are the key properties of 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride has a molecular weight of 384.81 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7,9-difluoro-8-(3-methylpyrrolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 139719077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).