(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone

C26H24N4O — CID 9337084

IUPAC(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H24N4O/c31-26(22-11-12-23-24(19-22)28-14-13-27-23)30-17-15-29(16-18-30)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,25H,15-18H2
InChIKeyALAJHQQIAFRZJD-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.18
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone

(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone (PubChem CID 9337084) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
PubChem CID9337084
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H24N4O/c31-26(22-11-12-23-24(19-22)28-14-13-27-23)30-17-15-29(16-18-30)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,25H,15-18H2
InChIKeyALAJHQQIAFRZJD-UHFFFAOYSA-N
XLogP4.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(1,3-benzothiazol-6-yl)methanone
CID 9337184
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
(4-benzhydrylpiperazin-1-yl)-[3-(2-phenylethynyl)phenyl]methanone
CID 2872605
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone
CID 90609112
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92767649
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92769109
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 60582399

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone (CID 9337084) is (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone is O=C(c1ccc2nccnc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone?
The InChIKey is ALAJHQQIAFRZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-26(22-11-12-23-24(19-22)28-14-13-27-23)30-17-15-29(16-18-30)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,25H,15-18H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone?
(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone has a molecular weight of 408.51 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone is sourced from PubChem (CID 9337084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).