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

C28H24Cl2N4 — CID 67626103

IUPAC7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESClc1ccc(C(c2ccccc2)N2CCN(c3ccc4cnc5cc(Cl)ccc5n34)CC2)cc1
InChIInChI=1S/C28H24Cl2N4/c29-22-8-6-21(7-9-22)28(20-4-2-1-3-5-20)33-16-14-32(15-17-33)27-13-11-24-19-31-25-18-23(30)10-12-26(25)34(24)27/h1-13,18-19,28H,14-17H2
InChIKeyMSEQJCPGWVLRFH-UHFFFAOYSA-N
MW487.43 g/mol
LogP6.71
Rot. Bonds4

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

7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 67626103) has the molecular formula C28H24Cl2N4 and a molecular weight of 487.43 g/mol. Its IUPAC name is 7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID67626103
Molecular FormulaC28H24Cl2N4
Molecular Weight487.43 g/mol
Exact Mass486.14
IUPAC Name7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESClc1ccc(C(c2ccccc2)N2CCN(c3ccc4cnc5cc(Cl)ccc5n34)CC2)cc1
InChIInChI=1S/C28H24Cl2N4/c29-22-8-6-21(7-9-22)28(20-4-2-1-3-5-20)33-16-14-32(15-17-33)27-13-11-24-19-31-25-18-23(30)10-12-26(25)34(24)27/h1-13,18-19,28H,14-17H2
InChIKeyMSEQJCPGWVLRFH-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

7-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
CID 54333305
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53333556
2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
CID 2576635
2-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]benzoic acid
CID 177332987
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 166403271
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanethiol
CID 123286407
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 67626103) is 7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is Clc1ccc(C(c2ccccc2)N2CCN(c3ccc4cnc5cc(Cl)ccc5n34)CC2)cc1.
What is the InChIKey of 7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is MSEQJCPGWVLRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4/c29-22-8-6-21(7-9-22)28(20-4-2-1-3-5-20)33-16-14-32(15-17-33)27-13-11-24-19-31-25-18-23(30)10-12-26(25)34(24)27/h1-13,18-19,28H,14-17H2.
What are the key properties of 7-chloro-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
7-chloro-1-[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-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 67626103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).