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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Related Compounds

Supinoxin
CID 11619093
6-[[[(3S,4R)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 60201425
6-[[[(3S,4S)-3-fluoro-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71460575
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(2-methoxyphenyl)piperazine
CID 11509806
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methoxyphenyl)piperazine
CID 11625718
6-[({1-[2-(7-Methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15982534
6-[({(3R,4R)-3-Methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 25008940
1-[(6-Chloro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
CID 52943473
1-[(2-Methoxy-6-methylquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
CID 52944097
1-[(2,6-Dimethoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 52948333
1-[(3,6-Dimethoxyquinoxalin-2-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 57401424
6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
CID 820005

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).