7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one

C13H13N3O3 — CID 135523696

IUPAC7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCOc1cc2c(cc1OC)Nc1nc[nH]c(=O)c1C2
InChIInChI=1S/C13H13N3O3/c1-18-10-4-7-3-8-12(14-6-15-13(8)17)16-9(7)5-11(10)19-2/h4-6H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyNVPFAFOQUJRLJO-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.43
Rot. Bonds2

About 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one

7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one (PubChem CID 135523696) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one
PubChem CID135523696
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCOc1cc2c(cc1OC)Nc1nc[nH]c(=O)c1C2
InChIInChI=1S/C13H13N3O3/c1-18-10-4-7-3-8-12(14-6-15-13(8)17)16-9(7)5-11(10)19-2/h4-6H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyNVPFAFOQUJRLJO-UHFFFAOYSA-N
XLogP1.43
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one (CID 135523696) is 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one is COc1cc2c(cc1OC)Nc1nc[nH]c(=O)c1C2.
What is the InChIKey of 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one?
The InChIKey is NVPFAFOQUJRLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-10-4-7-3-8-12(14-6-15-13(8)17)16-9(7)5-11(10)19-2/h4-6H,3H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one?
7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one has a molecular weight of 259.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 135523696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).