7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C21H24FN5O2 — CID 42935967

IUPAC7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)C3CC(=O)Nc4cc(F)ccc43)cn2)CC1
InChIInChI=1S/C21H24FN5O2/c1-26-6-8-27(9-7-26)19-5-2-14(12-23-19)13-24-21(29)17-11-20(28)25-18-10-15(22)3-4-16(17)18/h2-5,10,12,17H,6-9,11,13H2,1H3,(H,24,29)(H,25,28)
InChIKeyVSMBCDHUYPHWAW-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.71
Rot. Bonds4

About 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 42935967) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID42935967
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)C3CC(=O)Nc4cc(F)ccc43)cn2)CC1
InChIInChI=1S/C21H24FN5O2/c1-26-6-8-27(9-7-26)19-5-2-14(12-23-19)13-24-21(29)17-11-20(28)25-18-10-15(22)3-4-16(17)18/h2-5,10,12,17H,6-9,11,13H2,1H3,(H,24,29)(H,25,28)
InChIKeyVSMBCDHUYPHWAW-UHFFFAOYSA-N
XLogP1.71
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 42935967) is 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CN1CCN(c2ccc(CNC(=O)C3CC(=O)Nc4cc(F)ccc43)cn2)CC1.
What is the InChIKey of 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is VSMBCDHUYPHWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-26-6-8-27(9-7-26)19-5-2-14(12-23-19)13-24-21(29)17-11-20(28)25-18-10-15(22)3-4-16(17)18/h2-5,10,12,17H,6-9,11,13H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 42935967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).