9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione

C19H15N3O2 — CID 11823262

IUPAC9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione
SMILESCc1c2c(nc3ccc(N(C)C)cc13)C(=O)c1cccnc1C2=O
InChIInChI=1S/C19H15N3O2/c1-10-13-9-11(22(2)3)6-7-14(13)21-17-15(10)19(24)16-12(18(17)23)5-4-8-20-16/h4-9H,1-3H3
InChIKeyYPJAGVLPDQMWCM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.78
Rot. Bonds1

About 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione

9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione (PubChem CID 11823262) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione.

Molecular Properties

Compound Name9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione
PubChem CID11823262
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione
SMILESCc1c2c(nc3ccc(N(C)C)cc13)C(=O)c1cccnc1C2=O
InChIInChI=1S/C19H15N3O2/c1-10-13-9-11(22(2)3)6-7-14(13)21-17-15(10)19(24)16-12(18(17)23)5-4-8-20-16/h4-9H,1-3H3
InChIKeyYPJAGVLPDQMWCM-UHFFFAOYSA-N
XLogP2.78
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione?
The IUPAC name of 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione (CID 11823262) is 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione.
What is the SMILES notation for 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione?
The canonical SMILES for 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione is Cc1c2c(nc3ccc(N(C)C)cc13)C(=O)c1cccnc1C2=O.
What is the InChIKey of 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione?
The InChIKey is YPJAGVLPDQMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-10-13-9-11(22(2)3)6-7-14(13)21-17-15(10)19(24)16-12(18(17)23)5-4-8-20-16/h4-9H,1-3H3.
What are the key properties of 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione?
9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione has a molecular weight of 317.35 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione is sourced from PubChem (CID 11823262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).