N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide

C21H22FN5O3 — CID 69240416

IUPACN-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)Nc3nc4ccc(F)cc4nc3OC)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)24-18-12-14(22)6-7-17(18)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28)
InChIKeyCCMKBMJIUBWIEX-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.14
Rot. Bonds4

About N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide

N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 69240416) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID69240416
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC NameN-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)Nc3nc4ccc(F)cc4nc3OC)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)24-18-12-14(22)6-7-17(18)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28)
InChIKeyCCMKBMJIUBWIEX-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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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide (CID 69240416) is N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)Nc3nc4ccc(F)cc4nc3OC)CC2)c1.
What is the InChIKey of N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is CCMKBMJIUBWIEX-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)24-18-12-14(22)6-7-17(18)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28).
What are the key properties of N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide?
N-(6-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-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 69240416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).