N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide

C22H25FN6 — CID 141390749

IUPACN'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide
SMILESCC(C)C1CN(c2cnc3ccccc3n2)CCN1/C(N)=N/c1ccccc1F
InChIInChI=1S/C22H25FN6/c1-15(2)20-14-28(21-13-25-18-9-5-6-10-19(18)26-21)11-12-29(20)22(24)27-17-8-4-3-7-16(17)23/h3-10,13,15,20H,11-12,14H2,1-2H3,(H2,24,27)
InChIKeyNHEKHLQVYPYGFY-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.56
Rot. Bonds3

About N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide

N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide (PubChem CID 141390749) has the molecular formula C22H25FN6 and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide
PubChem CID141390749
Molecular FormulaC22H25FN6
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC NameN'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide
SMILESCC(C)C1CN(c2cnc3ccccc3n2)CCN1/C(N)=N/c1ccccc1F
InChIInChI=1S/C22H25FN6/c1-15(2)20-14-28(21-13-25-18-9-5-6-10-19(18)26-21)11-12-29(20)22(24)27-17-8-4-3-7-16(17)23/h3-10,13,15,20H,11-12,14H2,1-2H3,(H2,24,27)
InChIKeyNHEKHLQVYPYGFY-UHFFFAOYSA-N
XLogP3.56
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-fluorophenyl)-2-(2-methylpropyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide
CID 141390751
N'-(5-fluoro-2-methylphenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide
CID 141390773
N'-cyano-4-(6-fluoroquinoxalin-2-yl)-2-propan-2-ylpiperazine-1-carboximidamide
CID 141390747
(2R)-N-cyano-N'-(2-methylphenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide;2,2,2-trifluoroacetic acid
CID 118496075
4-(2-chloropyrimidin-4-yl)-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 143604545
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
2-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]quinoxaline
CID 95556468
(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol
CID 98763653
N-cyano-N'-(2-methylphenyl)-2-propan-2-yl-4-quinolin-2-ylpiperazine-1-carboximidamide
CID 72715390
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
N'-(3-methylphenyl)-4-quinoxalin-2-ylpiperazine-1-carboximidamide
CID 141390752
(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741394

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide (CID 141390749) is N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide is CC(C)C1CN(c2cnc3ccccc3n2)CCN1/C(N)=N/c1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide?
The InChIKey is NHEKHLQVYPYGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6/c1-15(2)20-14-28(21-13-25-18-9-5-6-10-19(18)26-21)11-12-29(20)22(24)27-17-8-4-3-7-16(17)23/h3-10,13,15,20H,11-12,14H2,1-2H3,(H2,24,27).
What are the key properties of N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide?
N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide has a molecular weight of 392.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-2-propan-2-yl-4-quinoxalin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 141390749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).