N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide

C21H22FN5O2 — CID 11675599

IUPACN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C21H22FN5O2/c1-14-4-3-5-16(12-14)26-8-10-27(11-9-26)21(28)25-19-20(29-2)24-17-7-6-15(22)13-18(17)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28)
InChIKeyZPAJPJGPEMLZNB-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.44
Rot. Bonds3

About N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide

N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 11675599) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID11675599
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C21H22FN5O2/c1-14-4-3-5-16(12-14)26-8-10-27(11-9-26)21(28)25-19-20(29-2)24-17-7-6-15(22)13-18(17)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28)
InChIKeyZPAJPJGPEMLZNB-UHFFFAOYSA-N
XLogP3.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide (CID 11675599) is N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide is COc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is ZPAJPJGPEMLZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-14-4-3-5-16(12-14)26-8-10-27(11-9-26)21(28)25-19-20(29-2)24-17-7-6-15(22)13-18(17)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28).
What are the key properties of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11675599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).