2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one

C25H24N4O3 — CID 162655292

IUPAC2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one
SMILESCOc1ccccc1N1CCN(C(=O)n2c3ccccc3c(=O)c3cc(N)ccc32)CC1
InChIInChI=1S/C25H24N4O3/c1-32-23-9-5-4-8-22(23)27-12-14-28(15-13-27)25(31)29-20-7-3-2-6-18(20)24(30)19-16-17(26)10-11-21(19)29/h2-11,16H,12-15,26H2,1H3
InChIKeyVCBVPWKOJDILQZ-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.54
Rot. Bonds2

About 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one

2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one (PubChem CID 162655292) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one.

Molecular Properties

Compound Name2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one
PubChem CID162655292
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one
SMILESCOc1ccccc1N1CCN(C(=O)n2c3ccccc3c(=O)c3cc(N)ccc32)CC1
InChIInChI=1S/C25H24N4O3/c1-32-23-9-5-4-8-22(23)27-12-14-28(15-13-27)25(31)29-20-7-3-2-6-18(20)24(30)19-16-17(26)10-11-21(19)29/h2-11,16H,12-15,26H2,1H3
InChIKeyVCBVPWKOJDILQZ-UHFFFAOYSA-N
XLogP3.54
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612578
1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 17122032
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 46784567
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
(E)-3-(2-aminophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 129451635
4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide
CID 16803740
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501

Frequently Asked Questions

What is the IUPAC name of 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one?
The IUPAC name of 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one (CID 162655292) is 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one.
What is the SMILES notation for 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one?
The canonical SMILES for 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one is COc1ccccc1N1CCN(C(=O)n2c3ccccc3c(=O)c3cc(N)ccc32)CC1.
What is the InChIKey of 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one?
The InChIKey is VCBVPWKOJDILQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-32-23-9-5-4-8-22(23)27-12-14-28(15-13-27)25(31)29-20-7-3-2-6-18(20)24(30)19-16-17(26)10-11-21(19)29/h2-11,16H,12-15,26H2,1H3.
What are the key properties of 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one?
2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one has a molecular weight of 428.49 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one is sourced from PubChem (CID 162655292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).