N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide

C21H22FN5O3 — CID 69243942

IUPACN-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(NC(=O)N3CCN(c4ccccc4F)CC3)c(OC)nc2c1
InChIInChI=1S/C21H22FN5O3/c1-29-14-7-8-16-17(13-14)24-20(30-2)19(23-16)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)
InChIKeyCAVYMKUCWGMSBN-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.14
Rot. Bonds4

About N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide

N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 69243942) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID69243942
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC NameN-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(NC(=O)N3CCN(c4ccccc4F)CC3)c(OC)nc2c1
InChIInChI=1S/C21H22FN5O3/c1-29-14-7-8-16-17(13-14)24-20(30-2)19(23-16)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)
InChIKeyCAVYMKUCWGMSBN-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

4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 175252468
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244515
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 66918089
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851
4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 11524654
(3,7-dimethoxyquinoxalin-2-yl)carbamic acid
CID 90770827
N-(6-chloro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 69243801
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
CID 15990858

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide (CID 69243942) is N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide is COc1ccc2nc(NC(=O)N3CCN(c4ccccc4F)CC3)c(OC)nc2c1.
What is the InChIKey of N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is CAVYMKUCWGMSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-29-14-7-8-16-17(13-14)24-20(30-2)19(23-16)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-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
N-(3,6-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-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 69243942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).