1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane

C21H30FN3 — CID 142173444

IUPAC1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane
SMILESCC.CC(C)=C1C=CN(C2CC2)c2cc(N3CCNCC3)c(F)cc21
InChIInChI=1S/C19H24FN3.C2H6/c1-13(2)15-5-8-23(14-3-4-14)18-12-19(17(20)11-16(15)18)22-9-6-21-7-10-22;1-2/h5,8,11-12,14,21H,3-4,6-7,9-10H2,1-2H3;1-2H3
InChIKeyLPJRKHYUQQGBSH-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.55
Rot. Bonds2

About 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane

1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane (PubChem CID 142173444) has the molecular formula C21H30FN3 and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane
PubChem CID142173444
Molecular FormulaC21H30FN3
Molecular Weight343.49 g/mol
Exact Mass343.24
IUPAC Name1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane
SMILESCC.CC(C)=C1C=CN(C2CC2)c2cc(N3CCNCC3)c(F)cc21
InChIInChI=1S/C19H24FN3.C2H6/c1-13(2)15-5-8-23(14-3-4-14)18-12-19(17(20)11-16(15)18)22-9-6-21-7-10-22;1-2/h5,8,11-12,14,21H,3-4,6-7,9-10H2,1-2H3;1-2H3
InChIKeyLPJRKHYUQQGBSH-UHFFFAOYSA-N
XLogP4.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane with MolForge

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Related Compounds

1-cyclopropyl-7-fluoro-4-oxo-8-piperazin-1-yl-5H-1-benzazepine-3-carbaldehyde
CID 143971701
6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
CID 71440472
1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol
CID 20785251
(3-fluoro-4-piperazin-1-ylphenyl)-methylsulfanium
CID 142440447
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
1-cyclopropyl-3-[(E)-(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-2H-quinolin-3-ylidene)methyl]-6-fluoro-7-piperazin-1-ylquinolin-4-one
CID 163746100
1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine
CID 155722191
6-fluoro-1-(4-fluorophenyl)-3,4-dioxo-7-piperazin-1-yl-2H-quinoline-2-carboxylic acid
CID 171127167
9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one
CID 66718445
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;propanoic acid
CID 174787606
1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol
CID 145237925

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane?
The IUPAC name of 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane (CID 142173444) is 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane?
The canonical SMILES for 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane is CC.CC(C)=C1C=CN(C2CC2)c2cc(N3CCNCC3)c(F)cc21.
What is the InChIKey of 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane?
The InChIKey is LPJRKHYUQQGBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3.C2H6/c1-13(2)15-5-8-23(14-3-4-14)18-12-19(17(20)11-16(15)18)22-9-6-21-7-10-22;1-2/h5,8,11-12,14,21H,3-4,6-7,9-10H2,1-2H3;1-2H3.
What are the key properties of 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane?
1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane has a molecular weight of 343.49 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane is sourced from PubChem (CID 142173444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).