N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide

C22H25N3O2 — CID 59019622

IUPACN-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide
SMILESCc1cc2c(=O)c3ccccc3[nH]c2cc1C(=O)NC1(C)CCN(C)CC1
InChIInChI=1S/C22H25N3O2/c1-14-12-17-19(23-18-7-5-4-6-15(18)20(17)26)13-16(14)21(27)24-22(2)8-10-25(3)11-9-22/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQOHXFRNIHOQYPC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.20
Rot. Bonds2

About N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide

N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide (PubChem CID 59019622) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide
PubChem CID59019622
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide
SMILESCc1cc2c(=O)c3ccccc3[nH]c2cc1C(=O)NC1(C)CCN(C)CC1
InChIInChI=1S/C22H25N3O2/c1-14-12-17-19(23-18-7-5-4-6-15(18)20(17)26)13-16(14)21(27)24-22(2)8-10-25(3)11-9-22/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQOHXFRNIHOQYPC-UHFFFAOYSA-N
XLogP3.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
N-(1-ethynylcyclohexyl)-2-fluoro-9-oxo-10H-acridine-3-carboxamide
CID 87498074
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane
CID 142326815
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
N-(1,4-dimethylpiperidin-4-yl)-3,4-difluorobenzamide
CID 134435231
N-(1,4-dimethylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
CID 134434500
2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one
CID 154840863
methyl 9H-carbazole-2-carboxylate;1-methylpyrrolidine
CID 143732942
10H-acridin-9-one;ethane
CID 91525380
10H-acridin-9-one
CID 22753806

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide (CID 59019622) is N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide is Cc1cc2c(=O)c3ccccc3[nH]c2cc1C(=O)NC1(C)CCN(C)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is QOHXFRNIHOQYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-12-17-19(23-18-7-5-4-6-15(18)20(17)26)13-16(14)21(27)24-22(2)8-10-25(3)11-9-22/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide?
N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 59019622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).