9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one

C11H9N3O2 — CID 135448689

IUPAC9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
SMILESCOc1cccc2[nH]c3c(=O)[nH]cnc3c12
InChIInChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15)
InChIKeyLQIHYZDCTRTCLG-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.41
Rot. Bonds1

About 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one

9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one (PubChem CID 135448689) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
PubChem CID135448689
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
SMILESCOc1cccc2[nH]c3c(=O)[nH]cnc3c12
InChIInChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15)
InChIKeyLQIHYZDCTRTCLG-UHFFFAOYSA-N
XLogP1.41
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-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 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one?
The IUPAC name of 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one (CID 135448689) is 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one?
The canonical SMILES for 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one is COc1cccc2[nH]c3c(=O)[nH]cnc3c12.
What is the InChIKey of 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one?
The InChIKey is LQIHYZDCTRTCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15).
What are the key properties of 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one?
9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one has a molecular weight of 215.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 135448689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).