(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C25H23N3O3 — CID 11429878

IUPAC(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccc(O)cc34)CC2)c1
InChIInChI=1S/C25H23N3O3/c1-31-19-6-4-5-17(15-19)27-11-13-28(14-12-27)25(30)24-20-7-2-3-8-22(20)26-23-10-9-18(29)16-21(23)24/h2-10,15-16,29H,11-14H2,1H3
InChIKeyAAAPNTFPGDHESD-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.06
Rot. Bonds3

About (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 11429878) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID11429878
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccc(O)cc34)CC2)c1
InChIInChI=1S/C25H23N3O3/c1-31-19-6-4-5-17(15-19)27-11-13-28(14-12-27)25(30)24-20-7-2-3-8-22(20)26-23-10-9-18(29)16-21(23)24/h2-10,15-16,29H,11-14H2,1H3
InChIKeyAAAPNTFPGDHESD-UHFFFAOYSA-N
XLogP4.06
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] hydrogen carbonate
CID 11304893
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 31912909
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone
CID 136558459
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 11429878) is (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccc(O)cc34)CC2)c1.
What is the InChIKey of (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is AAAPNTFPGDHESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-31-19-6-4-5-17(15-19)27-11-13-28(14-12-27)25(30)24-20-7-2-3-8-22(20)26-23-10-9-18(29)16-21(23)24/h2-10,15-16,29H,11-14H2,1H3.
What are the key properties of (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 413.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 11429878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).