2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide

C21H19F3N4O2 — CID 171744619

IUPAC2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide
SMILESCOc1cc(F)cc2ccc(NC(=O)c3c(F)cc(N4CCNCC4)cc3F)nc12
InChIInChI=1S/C21H19F3N4O2/c1-30-17-9-13(22)8-12-2-3-18(26-20(12)17)27-21(29)19-15(23)10-14(11-16(19)24)28-6-4-25-5-7-28/h2-3,8-11,25H,4-7H2,1H3,(H,26,27,29)
InChIKeyMPGUVYVDJKODLT-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.32
Rot. Bonds4

About 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide

2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide (PubChem CID 171744619) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide
PubChem CID171744619
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide
SMILESCOc1cc(F)cc2ccc(NC(=O)c3c(F)cc(N4CCNCC4)cc3F)nc12
InChIInChI=1S/C21H19F3N4O2/c1-30-17-9-13(22)8-12-2-3-18(26-20(12)17)27-21(29)19-15(23)10-14(11-16(19)24)28-6-4-25-5-7-28/h2-3,8-11,25H,4-7H2,1H3,(H,26,27,29)
InChIKeyMPGUVYVDJKODLT-UHFFFAOYSA-N
XLogP3.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494570
N-[4-[1-(4-chlorophenyl)-1-cyclopropylethyl]-1,3-thiazol-2-yl]-2,6-difluoro-4-piperazin-1-ylbenzamide
CID 171407869
1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
CID 145414301
N-[4-[2-(4-chloro-2-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-2,6-difluoro-4-piperazin-1-ylbenzamide
CID 175620616
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
3-tert-butyl-N-(5-fluoro-2-pyridinyl)-5-piperazin-1-ylbenzamide
CID 70645866
N-(4-ethynyl-1,3-benzothiazol-2-yl)-2-fluoro-6-methyl-4-piperazin-1-ylbenzamide
CID 171420383
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
CID 22355888
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide (CID 171744619) is 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide is COc1cc(F)cc2ccc(NC(=O)c3c(F)cc(N4CCNCC4)cc3F)nc12.
What is the InChIKey of 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide?
The InChIKey is MPGUVYVDJKODLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-30-17-9-13(22)8-12-2-3-18(26-20(12)17)27-21(29)19-15(23)10-14(11-16(19)24)28-6-4-25-5-7-28/h2-3,8-11,25H,4-7H2,1H3,(H,26,27,29).
What are the key properties of 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide?
2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide has a molecular weight of 416.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(6-fluoro-8-methoxyquinolin-2-yl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 171744619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).