8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione

C14H14N4O2 — CID 1236702

IUPAC8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCN(C)c1ccc2cc3c(=O)[nH]c(=O)nc-3n(C)c2c1
InChIInChI=1S/C14H14N4O2/c1-17(2)9-5-4-8-6-10-12(18(3)11(8)7-9)15-14(20)16-13(10)19/h4-7H,1-3H3,(H,16,19,20)
InChIKeyKEFONGAEZNXZDF-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.79
Rot. Bonds1

About 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione

8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 1236702) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione
PubChem CID1236702
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCN(C)c1ccc2cc3c(=O)[nH]c(=O)nc-3n(C)c2c1
InChIInChI=1S/C14H14N4O2/c1-17(2)9-5-4-8-6-10-12(18(3)11(8)7-9)15-14(20)16-13(10)19/h4-7H,1-3H3,(H,16,19,20)
InChIKeyKEFONGAEZNXZDF-UHFFFAOYSA-N
XLogP0.79
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione (CID 1236702) is 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione is CN(C)c1ccc2cc3c(=O)[nH]c(=O)nc-3n(C)c2c1.
What is the InChIKey of 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is KEFONGAEZNXZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-17(2)9-5-4-8-6-10-12(18(3)11(8)7-9)15-14(20)16-13(10)19/h4-7H,1-3H3,(H,16,19,20).
What are the key properties of 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione?
8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 1236702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).