10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione

C19H15N3O2 — CID 12786949

IUPAC10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2ccccc21
InChIInChI=1S/C19H15N3O2/c1-2-21-16-11-7-6-8-13(16)12-15-17(21)20-19(24)22(18(15)23)14-9-4-3-5-10-14/h3-12H,2H2,1H3
InChIKeyMEJHPJJUXZFFTH-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.67
Rot. Bonds2

About 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione

10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 12786949) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione
PubChem CID12786949
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2ccccc21
InChIInChI=1S/C19H15N3O2/c1-2-21-16-11-7-6-8-13(16)12-15-17(21)20-19(24)22(18(15)23)14-9-4-3-5-10-14/h3-12H,2H2,1H3
InChIKeyMEJHPJJUXZFFTH-UHFFFAOYSA-N
XLogP2.67
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione (CID 12786949) is 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione is CCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2ccccc21.
What is the InChIKey of 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is MEJHPJJUXZFFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-21-16-11-7-6-8-13(16)12-15-17(21)20-19(24)22(18(15)23)14-9-4-3-5-10-14/h3-12H,2H2,1H3.
What are the key properties of 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione?
10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 12786949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).