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

C22H22FN5O3 — CID 11524654

IUPAC4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C22H22FN5O3/c1-14(29)15-3-6-17(7-4-15)27-9-11-28(12-10-27)22(30)26-20-21(31-2)25-18-8-5-16(23)13-19(18)24-20/h3-8,13H,9-12H2,1-2H3,(H,24,26,30)
InChIKeyGBFOEBBJYZBQKX-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.33
Rot. Bonds4

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

4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 11524654) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID11524654
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C22H22FN5O3/c1-14(29)15-3-6-17(7-4-15)27-9-11-28(12-10-27)22(30)26-20-21(31-2)25-18-8-5-16(23)13-19(18)24-20/h3-8,13H,9-12H2,1-2H3,(H,24,26,30)
InChIKeyGBFOEBBJYZBQKX-UHFFFAOYSA-N
XLogP3.33
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276
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-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
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
(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
CID 123860282
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-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69241684
N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide
CID 138539475

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide (CID 11524654) is 4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide is COc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is GBFOEBBJYZBQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-14(29)15-3-6-17(7-4-15)27-9-11-28(12-10-27)22(30)26-20-21(31-2)25-18-8-5-16(23)13-19(18)24-20/h3-8,13H,9-12H2,1-2H3,(H,24,26,30).
What are the key properties of 4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 11524654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).