N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide

C24H22N2O3 — CID 59019210

IUPACN-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)C(O)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-24(2,22(28)15-8-4-3-5-9-15)26-23(29)16-12-13-18-20(14-16)25-19-11-7-6-10-17(19)21(18)27/h3-14,22,28H,1-2H3,(H,25,27)(H,26,29)
InChIKeyFWJULSWTJCQASO-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.92
Rot. Bonds4

About N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide

N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide (PubChem CID 59019210) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
PubChem CID59019210
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)C(O)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-24(2,22(28)15-8-4-3-5-9-15)26-23(29)16-12-13-18-20(14-16)25-19-11-7-6-10-17(19)21(18)27/h3-14,22,28H,1-2H3,(H,25,27)(H,26,29)
InChIKeyFWJULSWTJCQASO-UHFFFAOYSA-N
XLogP3.92
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 142264774
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68561679
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558251
N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558236
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
3-[1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-ylamino]ethenyl]-10H-acridin-9-one
CID 148779176
10H-acridin-9-one;ethane
CID 91525380
10H-acridin-9-one
CID 22753806
N-tert-butyl-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51111034
3-methyl-4-oxo-N-(1-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51111022

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide (CID 59019210) is N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)C(O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is FWJULSWTJCQASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-24(2,22(28)15-8-4-3-5-9-15)26-23(29)16-12-13-18-20(14-16)25-19-11-7-6-10-17(19)21(18)27/h3-14,22,28H,1-2H3,(H,25,27)(H,26,29).
What are the key properties of N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide?
N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 59019210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).