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

C21H22FN5O3 — CID 11625718

IUPACN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
InChIInChI=1S/C21H22FN5O3/c1-29-16-5-3-4-15(13-16)26-8-10-27(11-9-26)21(28)25-19-20(30-2)24-17-7-6-14(22)12-18(17)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28)
InChIKeyVHSUZEXJYZYQLP-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.14
Rot. Bonds4

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

N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 11625718) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID11625718
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC NameN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
InChIInChI=1S/C21H22FN5O3/c1-29-16-5-3-4-15(13-16)26-8-10-27(11-9-26)21(28)25-19-20(30-2)24-17-7-6-14(22)12-18(17)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28)
InChIKeyVHSUZEXJYZYQLP-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
N6-(2,5-dimethoxyphenyl)-N6-methyl-pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476037
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(2-methoxyphenyl)piperazine
CID 11509806
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
6-{[(2,5-Dimethoxyphenyl)(methyl)amino]methyl}pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457777
6-[(3-methoxy-N-methyl-anilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462098
4-[3-(2-Phenoxyethoxy)-2-quinoxalinyl]morpholine
CID 2562124
2-[4-(3-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 3813537

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide (CID 11625718) is N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1.
What is the InChIKey of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is VHSUZEXJYZYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-29-16-5-3-4-15(13-16)26-8-10-27(11-9-26)21(28)25-19-20(30-2)24-17-7-6-14(22)12-18(17)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28).
What are the key properties of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide?
N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)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-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11625718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).