4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide

C22H24BrN5O4 — CID 69241684

IUPAC4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cc2nc(NC(=O)N3CCN(c4cccc(Br)c4)CC3)c(OC)nc2cc1OC
InChIInChI=1S/C22H24BrN5O4/c1-30-18-12-16-17(13-19(18)31-2)25-21(32-3)20(24-16)26-22(29)28-9-7-27(8-10-28)15-6-4-5-14(23)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,24,26,29)
InChIKeyXOKDIOHLEWJKJU-UHFFFAOYSA-N
MW502.37 g/mol
LogP3.77
Rot. Bonds5

About 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide

4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 69241684) has the molecular formula C22H24BrN5O4 and a molecular weight of 502.37 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID69241684
Molecular FormulaC22H24BrN5O4
Molecular Weight502.37 g/mol
Exact Mass501.10
IUPAC Name4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cc2nc(NC(=O)N3CCN(c4cccc(Br)c4)CC3)c(OC)nc2cc1OC
InChIInChI=1S/C22H24BrN5O4/c1-30-18-12-16-17(13-19(18)31-2)25-21(32-3)20(24-16)26-22(29)28-9-7-27(8-10-28)15-6-4-5-14(23)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,24,26,29)
InChIKeyXOKDIOHLEWJKJU-UHFFFAOYSA-N
XLogP3.77
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244515
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
N-(6-chloro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 69243801
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
S-[(3-methoxy-5,6-dimethylpyrazin-2-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate
CID 23446215
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 66918089
4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 11524654
N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 23991152

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (CID 69241684) is 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is COc1cc2nc(NC(=O)N3CCN(c4cccc(Br)c4)CC3)c(OC)nc2cc1OC.
What is the InChIKey of 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is XOKDIOHLEWJKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN5O4/c1-30-18-12-16-17(13-19(18)31-2)25-21(32-3)20(24-16)26-22(29)28-9-7-27(8-10-28)15-6-4-5-14(23)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,24,26,29).
What are the key properties of 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 502.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 69241684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).