10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one

C26H23N7O2 — CID 43073615

IUPAC10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C26H23N7O2/c34-24(18-32-22-12-6-4-10-20(22)25(35)21-11-5-7-13-23(21)32)30-14-16-31(17-15-30)26-27-28-29-33(26)19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKeyNMYSYLAVTFUIST-UHFFFAOYSA-N
MW465.52 g/mol
LogP2.48
Rot. Bonds4

About 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one

10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one (PubChem CID 43073615) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one
PubChem CID43073615
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C26H23N7O2/c34-24(18-32-22-12-6-4-10-20(22)25(35)21-11-5-7-13-23(21)32)30-14-16-31(17-15-30)26-27-28-29-33(26)19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKeyNMYSYLAVTFUIST-UHFFFAOYSA-N
XLogP2.48
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-methyl-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 43073607
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-prop-2-enylsulfanylethanone
CID 51086980
6-chloro-4-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 43073614
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
3-(2-methylpropoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
CID 55689866
2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 25332203
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone
CID 55679934
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329
10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one
CID 38505423
10-[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]acridin-9-one
CID 55918166

Frequently Asked Questions

What is the IUPAC name of 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one?
The IUPAC name of 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one (CID 43073615) is 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one.
What is the SMILES notation for 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one?
The canonical SMILES for 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one?
The InChIKey is NMYSYLAVTFUIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c34-24(18-32-22-12-6-4-10-20(22)25(35)21-11-5-7-13-23(21)32)30-14-16-31(17-15-30)26-27-28-29-33(26)19-8-2-1-3-9-19/h1-13H,14-18H2.
What are the key properties of 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one?
10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one has a molecular weight of 465.52 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one is sourced from PubChem (CID 43073615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).