8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine

C56H55Cl2F3N10O6 — CID 158016796

About 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine

8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine (PubChem CID 158016796) has the molecular formula C56H55Cl2F3N10O6 and a molecular weight of 1092.02 g/mol. Its IUPAC name is 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine.

Molecular Properties

• Compound Name: 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine
• PubChem CID: 158016796
• Molecular Formula: C56H55Cl2F3N10O6
• Molecular Weight: 1092.02 g/mol
• Exact Mass: 1090.36
• IUPAC Name: 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine
• SMILES: CN(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(Cl)c32)cc1.CN(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)c(Cl)c32)cc1.c1ccc(N2CCNCC2)nc1
• InChI: InChI=1S/C28H27ClFN5O3.C19H15ClF2N2O3.C9H13N3/c1-32(2)16-18-6-8-19(9-7-18)35-17-21(28(37)38)27(36)20-15-22(30)26(24(29)25(20)35)34-13-11-33(12-14-34)23-5-3-4-10-31-23;1-23(2)8-10-3-5-11(6-4-10)24-9-13(19(26)27)18(25)12-7-14(21)16(22)15(20)17(12)24;1-2-4-11-9(3-1)12-7-5-10-6-8-12/h3-10,15,17H,11-14,16H2,1-2H3,(H,37,38);3-7,9H,8H2,1-2H3,(H,26,27);1-4,10H,5-8H2
• InChIKey: FFOMNNMNQHJIIR-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 172.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1092.02
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine?

The IUPAC name of 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine (CID 158016796) is 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine.

What is the SMILES notation for 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine?

The canonical SMILES for 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine is CN(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(Cl)c32)cc1.CN(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)c(Cl)c32)cc1.c1ccc(N2CCNCC2)nc1.

What is the InChIKey of 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine?

The InChIKey is FFOMNNMNQHJIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN5O3.C19H15ClF2N2O3.C9H13N3/c1-32(2)16-18-6-8-19(9-7-18)35-17-21(28(37)38)27(36)20-15-22(30)26(24(29)25(20)35)34-13-11-33(12-14-34)23-5-3-4-10-31-23;1-23(2)8-10-3-5-11(6-4-10)24-9-13(19(26)27)18(25)12-7-14(21)16(22)15(20)17(12)24;1-2-4-11-9(3-1)12-7-5-10-6-8-12/h3-10,15,17H,11-14,16H2,1-2H3,(H,37,38);3-7,9H,8H2,1-2H3,(H,26,27);1-4,10H,5-8H2.

What are the key properties of 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine?

8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine has a molecular weight of 1092.02 g/mol, XLogP of 8.44, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylic acid;8-chloro-1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;1-pyridin-2-ylpiperazine is sourced from PubChem (CID 158016796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).