1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid

C24H30FN3O5 — CID 10647600

IUPAC1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(N2CCC(CNC(=O)OC(C)(C)C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C24H30FN3O5/c1-13-19-16(15-5-6-15)9-17(22(30)31)21(29)28(19)12-18(25)20(13)27-8-7-14(11-27)10-26-23(32)33-24(2,3)4/h9,12,14-15H,5-8,10-11H2,1-4H3,(H,26,32)(H,30,31)
InChIKeyZIJNHRKYXLLFPG-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.67
Rot. Bonds5

About 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid

1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid (PubChem CID 10647600) has the molecular formula C24H30FN3O5 and a molecular weight of 459.52 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid
PubChem CID10647600
Molecular FormulaC24H30FN3O5
Molecular Weight459.52 g/mol
Exact Mass459.22
IUPAC Name1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(N2CCC(CNC(=O)OC(C)(C)C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C24H30FN3O5/c1-13-19-16(15-5-6-15)9-17(22(30)31)21(29)28(19)12-18(25)20(13)27-8-7-14(11-27)10-26-23(32)33-24(2,3)4/h9,12,14-15H,5-8,10-11H2,1-4H3,(H,26,32)(H,30,31)
InChIKeyZIJNHRKYXLLFPG-UHFFFAOYSA-N
XLogP3.67
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid (CID 10647600) is 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid is Cc1c(N2CCC(CNC(=O)OC(C)(C)C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is ZIJNHRKYXLLFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O5/c1-13-19-16(15-5-6-15)9-17(22(30)31)21(29)28(19)12-18(25)20(13)27-8-7-14(11-27)10-26-23(32)33-24(2,3)4/h9,12,14-15H,5-8,10-11H2,1-4H3,(H,26,32)(H,30,31).
What are the key properties of 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 459.52 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-9-methyl-8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 10647600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).