3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one

C17H20FN5O — CID 10711423

IUPAC3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one
SMILESCCN(CC)CCn1c(C)nc2c(nnc3cc(F)ccc32)c1=O
InChIInChI=1S/C17H20FN5O/c1-4-22(5-2)8-9-23-11(3)19-15-13-7-6-12(18)10-14(13)20-21-16(15)17(23)24/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyVPDLJWKKJBCTCW-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.13
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one

3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one (PubChem CID 10711423) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one
PubChem CID10711423
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one
SMILESCCN(CC)CCn1c(C)nc2c(nnc3cc(F)ccc32)c1=O
InChIInChI=1S/C17H20FN5O/c1-4-22(5-2)8-9-23-11(3)19-15-13-7-6-12(18)10-14(13)20-21-16(15)17(23)24/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyVPDLJWKKJBCTCW-UHFFFAOYSA-N
XLogP2.13
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-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 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one (CID 10711423) is 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one is CCN(CC)CCn1c(C)nc2c(nnc3cc(F)ccc32)c1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one?
The InChIKey is VPDLJWKKJBCTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-4-22(5-2)8-9-23-11(3)19-15-13-7-6-12(18)10-14(13)20-21-16(15)17(23)24/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one?
3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one has a molecular weight of 329.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one is sourced from PubChem (CID 10711423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).