Q19

C₁₇H₁₆N₄O — CID 53346507

About Q19

Q19 (PubChem CID 53346507) has the molecular formula C₁₇H₁₆N₄O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone.

Molecular Properties

• Compound Name: Q19
• PubChem CID: 53346507
• Molecular Formula: C₁₇H₁₆N₄O
• Molecular Weight: 292.34 g/mol
• Exact Mass: 292.13
• IUPAC Name: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone
• SMILES: CC(=O)c1cccc(-c2cc3nc(N)nc(N)c3cc2C)c1
• InChI: InChI=1S/C17H16N4O/c1-9-6-14-15(20-17(19)21-16(14)18)8-13(9)12-5-3-4-11(7-12)10(2)22/h3-8H,1-2H3,(H4,18,19,20,21)
• InChIKey: OCMSAMCSELNFPL-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 94.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.34
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Q19?

The IUPAC name of Q19 (CID 53346507) is 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone.

What is the SMILES notation for Q19?

The canonical SMILES for Q19 is CC(=O)c1cccc(-c2cc3nc(N)nc(N)c3cc2C)c1.

What is the InChIKey of Q19?

The InChIKey is OCMSAMCSELNFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-9-6-14-15(20-17(19)21-16(14)18)8-13(9)12-5-3-4-11(7-12)10(2)22/h3-8H,1-2H3,(H4,18,19,20,21).

What are the key properties of Q19?

Q19 has a molecular weight of 292.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Q19 is sourced from PubChem (CID 53346507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 53346507 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.