7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide

C22H22FN5O3S — CID 17028119

IUPAC7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2nccs2)cn3C2CC2)CC1
InChIInChI=1S/C22H22FN5O3S/c1-13(29)26-5-7-27(8-6-26)19-11-18-15(10-17(19)23)20(30)16(12-28(18)14-2-3-14)21(31)25-22-24-4-9-32-22/h4,9-12,14H,2-3,5-8H2,1H3,(H,24,25,31)
InChIKeyLHSQZZAAZQQGPB-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.85
Rot. Bonds4

About 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide

7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide (PubChem CID 17028119) has the molecular formula C22H22FN5O3S and a molecular weight of 455.52 g/mol. Its IUPAC name is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
PubChem CID17028119
Molecular FormulaC22H22FN5O3S
Molecular Weight455.52 g/mol
Exact Mass455.14
IUPAC Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2nccs2)cn3C2CC2)CC1
InChIInChI=1S/C22H22FN5O3S/c1-13(29)26-5-7-27(8-6-26)19-11-18-15(10-17(19)23)20(30)16(12-28(18)14-2-3-14)21(31)25-22-24-4-9-32-22/h4,9-12,14H,2-3,5-8H2,1H3,(H,24,25,31)
InChIKeyLHSQZZAAZQQGPB-UHFFFAOYSA-N
XLogP2.85
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide (CID 17028119) is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide is CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2nccs2)cn3C2CC2)CC1.
What is the InChIKey of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is LHSQZZAAZQQGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3S/c1-13(29)26-5-7-27(8-6-26)19-11-18-15(10-17(19)23)20(30)16(12-28(18)14-2-3-14)21(31)25-22-24-4-9-32-22/h4,9-12,14H,2-3,5-8H2,1H3,(H,24,25,31).
What are the key properties of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 17028119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).