7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

C22H22N4O — CID 19978066

IUPAC7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCOc1ccc2c(c1)nc(N1CCN(c3ccccc3)CC1)c1cccn12
InChIInChI=1S/C22H22N4O/c1-27-18-9-10-20-19(16-18)23-22(21-8-5-11-26(20)21)25-14-12-24(13-15-25)17-6-3-2-4-7-17/h2-11,16H,12-15H2,1H3
InChIKeyNJGKGORLGYWOEY-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.82
Rot. Bonds3

About 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 19978066) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID19978066
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCOc1ccc2c(c1)nc(N1CCN(c3ccccc3)CC1)c1cccn12
InChIInChI=1S/C22H22N4O/c1-27-18-9-10-20-19(16-18)23-22(21-8-5-11-26(20)21)25-14-12-24(13-15-25)17-6-3-2-4-7-17/h2-11,16H,12-15H2,1H3
InChIKeyNJGKGORLGYWOEY-UHFFFAOYSA-N
XLogP3.82
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 19978066) is 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is COc1ccc2c(c1)nc(N1CCN(c3ccccc3)CC1)c1cccn12.
What is the InChIKey of 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is NJGKGORLGYWOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-27-18-9-10-20-19(16-18)23-22(21-8-5-11-26(20)21)25-14-12-24(13-15-25)17-6-3-2-4-7-17/h2-11,16H,12-15H2,1H3.
What are the key properties of 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 358.45 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 19978066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).