4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide

C23H22FN5O — CID 20876985

IUPAC4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1
InChIInChI=1S/C23H22FN5O/c1-16-5-2-3-6-18(16)26-23(30)28-13-11-27(12-14-28)22-21-7-4-10-29(21)20-9-8-17(24)15-19(20)25-22/h2-10,15H,11-14H2,1H3,(H,26,30)
InChIKeyRBTUVXAUUIJQAG-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.29
Rot. Bonds2

About 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide

4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 20876985) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID20876985
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1
InChIInChI=1S/C23H22FN5O/c1-16-5-2-3-6-18(16)26-23(30)28-13-11-27(12-14-28)22-21-7-4-10-29(21)20-9-8-17(24)15-19(20)25-22/h2-10,15H,11-14H2,1H3,(H,26,30)
InChIKeyRBTUVXAUUIJQAG-UHFFFAOYSA-N
XLogP4.29
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide (CID 20876985) is 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1.
What is the InChIKey of 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is RBTUVXAUUIJQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-16-5-2-3-6-18(16)26-23(30)28-13-11-27(12-14-28)22-21-7-4-10-29(21)20-9-8-17(24)15-19(20)25-22/h2-10,15H,11-14H2,1H3,(H,26,30).
What are the key properties of 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 20876985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).