2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide

C18H20BrFN4O — CID 133358607

IUPAC2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1)NC1CC1
InChIInChI=1S/C18H20BrFN4O/c19-14-9-12-1-4-17(22-16(12)10-15(14)20)24-7-5-23(6-8-24)11-18(25)21-13-2-3-13/h1,4,9-10,13H,2-3,5-8,11H2,(H,21,25)
InChIKeyBCDFSLVEJYBAPV-UHFFFAOYSA-N
MW407.29 g/mol
LogP2.54
Rot. Bonds4

About 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 133358607) has the molecular formula C18H20BrFN4O and a molecular weight of 407.29 g/mol. Its IUPAC name is 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID133358607
Molecular FormulaC18H20BrFN4O
Molecular Weight407.29 g/mol
Exact Mass406.08
IUPAC Name2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1)NC1CC1
InChIInChI=1S/C18H20BrFN4O/c19-14-9-12-1-4-17(22-16(12)10-15(14)20)24-7-5-23(6-8-24)11-18(25)21-13-2-3-13/h1,4,9-10,13H,2-3,5-8,11H2,(H,21,25)
InChIKeyBCDFSLVEJYBAPV-UHFFFAOYSA-N
XLogP2.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline
CID 133358648
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133358272
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 116738808
2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166158
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 116738415
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
6-bromo-7-fluoro-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]quinoline
CID 133387094
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322
2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide (CID 133358607) is 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1)NC1CC1.
What is the InChIKey of 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is BCDFSLVEJYBAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4O/c19-14-9-12-1-4-17(22-16(12)10-15(14)20)24-7-5-23(6-8-24)11-18(25)21-13-2-3-13/h1,4,9-10,13H,2-3,5-8,11H2,(H,21,25).
What are the key properties of 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 407.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 133358607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).