9,11-dimethylpyrido[2,3-b]acridine-5,12-dione

C18H12N2O2 — CID 10946126

IUPAC9,11-dimethylpyrido[2,3-b]acridine-5,12-dione
SMILESCc1ccc2nc3c(c(C)c2c1)C(=O)c1ncccc1C3=O
InChIInChI=1S/C18H12N2O2/c1-9-5-6-13-12(8-9)10(2)14-16(20-13)17(21)11-4-3-7-19-15(11)18(14)22/h3-8H,1-2H3
InChIKeyPUAUYXAVCVTZBE-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.02
Rot. Bonds

About 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione

9,11-dimethylpyrido[2,3-b]acridine-5,12-dione (PubChem CID 10946126) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione.

Molecular Properties

Compound Name9,11-dimethylpyrido[2,3-b]acridine-5,12-dione
PubChem CID10946126
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name9,11-dimethylpyrido[2,3-b]acridine-5,12-dione
SMILESCc1ccc2nc3c(c(C)c2c1)C(=O)c1ncccc1C3=O
InChIInChI=1S/C18H12N2O2/c1-9-5-6-13-12(8-9)10(2)14-16(20-13)17(21)11-4-3-7-19-15(11)18(14)22/h3-8H,1-2H3
InChIKeyPUAUYXAVCVTZBE-UHFFFAOYSA-N
XLogP3.02
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione
CID 11823262
7-methylbenzo[b][1,10]phenanthroline-5,6-dione
CID 176653841
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
7-methylindeno[1,2-b]quinoxalin-11-one
CID 2799070
2-(dimethylamino)naphtho[2,1-g]quinoline-7,12-dione
CID 23239458
6-methyl-7,8,9,10-tetrahydropyrido[3,2-b]acridine-5,12-dione
CID 15870607
ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate
CID 11280197
4,7-phenanthroline-5,6-dione
CID 6764
9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione
CID 155690252
naphtho[1,2-h]quinoline-11,12-dione
CID 126542594
2-methylbenzo[j]phenanthridine-7,12-dione
CID 57328334
6-(3-phenylphenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
CID 134604690

Frequently Asked Questions

What is the IUPAC name of 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione?
The IUPAC name of 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione (CID 10946126) is 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione.
What is the SMILES notation for 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione?
The canonical SMILES for 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione is Cc1ccc2nc3c(c(C)c2c1)C(=O)c1ncccc1C3=O.
What is the InChIKey of 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione?
The InChIKey is PUAUYXAVCVTZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-9-5-6-13-12(8-9)10(2)14-16(20-13)17(21)11-4-3-7-19-15(11)18(14)22/h3-8H,1-2H3.
What are the key properties of 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione?
9,11-dimethylpyrido[2,3-b]acridine-5,12-dione has a molecular weight of 288.31 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethylpyrido[2,3-b]acridine-5,12-dione is sourced from PubChem (CID 10946126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).