7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

C28H24Cl2N4 — CID 54333305

IUPAC7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESClc1ccc(C(c2ccccc2)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1
InChIInChI=1S/C28H24Cl2N4/c29-22-10-8-21(9-11-22)27(20-5-2-1-3-6-20)32-15-17-33(18-16-32)28-26-7-4-14-34(26)25-13-12-23(30)19-24(25)31-28/h1-14,19,27H,15-18H2
InChIKeySZVVPSKKXFPHJM-UHFFFAOYSA-N
MW487.43 g/mol
LogP6.71
Rot. Bonds4

About 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 54333305) has the molecular formula C28H24Cl2N4 and a molecular weight of 487.43 g/mol. Its IUPAC name is 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID54333305
Molecular FormulaC28H24Cl2N4
Molecular Weight487.43 g/mol
Exact Mass486.14
IUPAC Name7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESClc1ccc(C(c2ccccc2)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1
InChIInChI=1S/C28H24Cl2N4/c29-22-10-8-21(9-11-22)27(20-5-2-1-3-6-20)32-15-17-33(18-16-32)28-26-7-4-14-34(26)25-13-12-23(30)19-24(25)31-28/h1-14,19,27H,15-18H2
InChIKeySZVVPSKKXFPHJM-UHFFFAOYSA-N
XLogP6.71
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline
CID 10619583
7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
CID 67626103
7-chloro-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyrrolo[1,2-a]quinoxaline
CID 46259642
4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53333556
[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 46259650
N-(3-acetylphenyl)-4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
CID 50805054
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 50805266
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
N-(3-chlorophenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide
CID 22581890
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145
7-chloro-4-(trichloromethyl)pyrrolo[1,2-a]quinoxaline
CID 90681125
N-(5-chloro-2-methylphenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide
CID 50805065

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 54333305) is 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is Clc1ccc(C(c2ccccc2)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1.
What is the InChIKey of 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is SZVVPSKKXFPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4/c29-22-10-8-21(9-11-22)27(20-5-2-1-3-6-20)32-15-17-33(18-16-32)28-26-7-4-14-34(26)25-13-12-23(30)19-24(25)31-28/h1-14,19,27H,15-18H2.
What are the key properties of 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 487.43 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 54333305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).