(2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone

C27H26N4O — CID 2983968

IUPAC(2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C27H26N4O/c1-2-30-15-17-31(18-16-30)27(32)22-13-14-23-24(19-22)29-26(21-11-7-4-8-12-21)25(28-23)20-9-5-3-6-10-20/h3-14,19H,2,15-18H2,1H3
InChIKeyQMIRDHVDMROKEC-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.74
Rot. Bonds4

About (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone

(2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 2983968) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID2983968
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name(2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C27H26N4O/c1-2-30-15-17-31(18-16-30)27(32)22-13-14-23-24(19-22)29-26(21-11-7-4-8-12-21)25(28-23)20-9-5-3-6-10-20/h3-14,19H,2,15-18H2,1H3
InChIKeyQMIRDHVDMROKEC-UHFFFAOYSA-N
XLogP4.74
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone (CID 2983968) is (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1.
What is the InChIKey of (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is QMIRDHVDMROKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-2-30-15-17-31(18-16-30)27(32)22-13-14-23-24(19-22)29-26(21-11-7-4-8-12-21)25(28-23)20-9-5-3-6-10-20/h3-14,19H,2,15-18H2,1H3.
What are the key properties of (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone?
(2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 422.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 2983968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).