3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione

C19H23N3O3 — CID 58329382

IUPAC3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione
SMILESCCC(CC)n1c(=O)n(CC)c(=O)c2cnc3c(OC)cccc3c21
InChIInChI=1S/C19H23N3O3/c1-5-12(6-2)22-17-13-9-8-10-15(25-4)16(13)20-11-14(17)18(23)21(7-3)19(22)24/h8-12H,5-7H2,1-4H3
InChIKeyZKLWBAVLQDXKPF-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.10
Rot. Bonds5

About 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione

3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione (PubChem CID 58329382) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione
PubChem CID58329382
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione
SMILESCCC(CC)n1c(=O)n(CC)c(=O)c2cnc3c(OC)cccc3c21
InChIInChI=1S/C19H23N3O3/c1-5-12(6-2)22-17-13-9-8-10-15(25-4)16(13)20-11-14(17)18(23)21(7-3)19(22)24/h8-12H,5-7H2,1-4H3
InChIKeyZKLWBAVLQDXKPF-UHFFFAOYSA-N
XLogP3.10
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione 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 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione?
The IUPAC name of 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione (CID 58329382) is 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione.
What is the SMILES notation for 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione?
The canonical SMILES for 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione is CCC(CC)n1c(=O)n(CC)c(=O)c2cnc3c(OC)cccc3c21.
What is the InChIKey of 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione?
The InChIKey is ZKLWBAVLQDXKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-5-12(6-2)22-17-13-9-8-10-15(25-4)16(13)20-11-14(17)18(23)21(7-3)19(22)24/h8-12H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione?
3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxy-1-pentan-3-ylpyrimido[5,4-c]quinoline-2,4-dione is sourced from PubChem (CID 58329382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).