7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione

C14H13N3O2 — CID 6454245

IUPAC7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1cc2cc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C
InChIInChI=1S/C14H13N3O2/c1-7-4-9-6-10-12(15-14(19)16-13(10)18)17(3)11(9)5-8(7)2/h4-6H,1-3H3,(H,16,18,19)
InChIKeySEHIHXCTAZRBJE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.34
Rot. Bonds

About 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione

7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 6454245) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione
PubChem CID6454245
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1cc2cc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C
InChIInChI=1S/C14H13N3O2/c1-7-4-9-6-10-12(15-14(19)16-13(10)18)17(3)11(9)5-8(7)2/h4-6H,1-3H3,(H,16,18,19)
InChIKeySEHIHXCTAZRBJE-UHFFFAOYSA-N
XLogP1.34
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione (CID 6454245) is 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione is Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C.
What is the InChIKey of 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is SEHIHXCTAZRBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-7-4-9-6-10-12(15-14(19)16-13(10)18)17(3)11(9)5-8(7)2/h4-6H,1-3H3,(H,16,18,19).
What are the key properties of 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione?
7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 255.28 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 6454245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).