7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one

C23H25N5O4S — CID 71470873

IUPAC7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one
SMILESCOc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5nccs5)CC4)cc3n(OC)c2c1
InChIInChI=1S/C23H25N5O4S/c1-30-14-10-19-21(20(11-14)31-2)22(29)15-12-16(24)18(13-17(15)28(19)32-3)26-5-7-27(8-6-26)23-25-4-9-33-23/h4,9-13H,5-8,24H2,1-3H3
InChIKeyVNTBQYPLHKSAKK-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.60
Rot. Bonds5

About 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one

7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one (PubChem CID 71470873) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one.

Molecular Properties

Compound Name7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one
PubChem CID71470873
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one
SMILESCOc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5nccs5)CC4)cc3n(OC)c2c1
InChIInChI=1S/C23H25N5O4S/c1-30-14-10-19-21(20(11-14)31-2)22(29)15-12-16(24)18(13-17(15)28(19)32-3)26-5-7-27(8-6-26)23-25-4-9-33-23/h4,9-13H,5-8,24H2,1-3H3
InChIKeyVNTBQYPLHKSAKK-UHFFFAOYSA-N
XLogP2.60
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one?
The IUPAC name of 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one (CID 71470873) is 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one.
What is the SMILES notation for 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one?
The canonical SMILES for 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one is COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5nccs5)CC4)cc3n(OC)c2c1.
What is the InChIKey of 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one?
The InChIKey is VNTBQYPLHKSAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-30-14-10-19-21(20(11-14)31-2)22(29)15-12-16(24)18(13-17(15)28(19)32-3)26-5-7-27(8-6-26)23-25-4-9-33-23/h4,9-13H,5-8,24H2,1-3H3.
What are the key properties of 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one?
7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one has a molecular weight of 467.55 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,3,10-trimethoxy-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acridin-9-one is sourced from PubChem (CID 71470873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).