N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide

C21H22FN5O3 — CID 66918153

IUPACN-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(OC)c(NC(=O)N3CCN(c4ccccc4F)CC3)nc2c1
InChIInChI=1S/C21H22FN5O3/c1-29-14-7-8-16-17(13-14)23-19(20(24-16)30-2)25-21(28)27-11-9-26(10-12-27)18-6-4-3-5-15(18)22/h3-8,13H,9-12H2,1-2H3,(H,23,25,28)
InChIKeySQYZKKZOFJPRMA-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.14
Rot. Bonds4

About N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide

N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 66918153) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID66918153
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC NameN-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(OC)c(NC(=O)N3CCN(c4ccccc4F)CC3)nc2c1
InChIInChI=1S/C21H22FN5O3/c1-29-14-7-8-16-17(13-14)23-19(20(24-16)30-2)25-21(28)27-11-9-26(10-12-27)18-6-4-3-5-15(18)22/h3-8,13H,9-12H2,1-2H3,(H,23,25,28)
InChIKeySQYZKKZOFJPRMA-UHFFFAOYSA-N
XLogP3.14
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide (CID 66918153) is N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide is COc1ccc2nc(OC)c(NC(=O)N3CCN(c4ccccc4F)CC3)nc2c1.
What is the InChIKey of N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is SQYZKKZOFJPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-29-14-7-8-16-17(13-14)23-19(20(24-16)30-2)25-21(28)27-11-9-26(10-12-27)18-6-4-3-5-15(18)22/h3-8,13H,9-12H2,1-2H3,(H,23,25,28).
What are the key properties of N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 66918153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).