N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide

C23H22ClN5O — CID 50805246

IUPACN-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)c(Cl)c1
InChIInChI=1S/C23H22ClN5O/c1-16-8-9-18(17(24)15-16)26-23(30)28-13-11-27(12-14-28)22-21-7-4-10-29(21)20-6-3-2-5-19(20)25-22/h2-10,15H,11-14H2,1H3,(H,26,30)
InChIKeyRPACXAVZOCCNDM-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.80
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide

N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide (PubChem CID 50805246) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide
PubChem CID50805246
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC NameN-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)c(Cl)c1
InChIInChI=1S/C23H22ClN5O/c1-16-8-9-18(17(24)15-16)26-23(30)28-13-11-27(12-14-28)22-21-7-4-10-29(21)20-6-3-2-5-19(20)25-22/h2-10,15H,11-14H2,1H3,(H,26,30)
InChIKeyRPACXAVZOCCNDM-UHFFFAOYSA-N
XLogP4.80
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 50805150
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-chloro-2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 50805283
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 20876985
N-(5-chloro-2-methylphenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide
CID 50805065
N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
CID 50805235
N-(3-bromophenyl)-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
CID 50805257
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 22581912
N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide
CID 53070136
methyl 2-[[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carbonyl]amino]benzoate
CID 50805289
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 50805266
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 50805060
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 50805222

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide (CID 50805246) is N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide?
The InChIKey is RPACXAVZOCCNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-16-8-9-18(17(24)15-16)26-23(30)28-13-11-27(12-14-28)22-21-7-4-10-29(21)20-6-3-2-5-19(20)25-22/h2-10,15H,11-14H2,1H3,(H,26,30).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide?
N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide has a molecular weight of 419.92 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 50805246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).