CID 158313051

C₁₉H₁₇N₃ — CID 158313051

About CID 158313051

CID 158313051 (PubChem CID 158313051) has the molecular formula C₁₉H₁₇N₃ and a molecular weight of 287.37 g/mol.

Molecular Properties

• Compound Name: CID 158313051
• PubChem CID: 158313051
• Molecular Formula: C₁₉H₁₇N₃
• Molecular Weight: 287.37 g/mol
• Exact Mass: 287.14
• IUPAC Name: —
• SMILES: CC1=C(C)c2c(ccc3c2-n2c(nc4cc[c-][n+](C)c42)C3)C1
• InChI: InChI=1S/C19H17N3/c1-11-9-13-6-7-14-10-16-20-15-5-4-8-21(3)19(15)22(16)18(14)17(13)12(11)2/h4-7H,9-10H2,1-3H3
• InChIKey: PHLQUGTXTVTGHY-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 21.70 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.37
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 158313051?

The IUPAC name of CID 158313051 (CID 158313051) is not available.

What is the SMILES notation for CID 158313051?

The canonical SMILES for CID 158313051 is CC1=C(C)c2c(ccc3c2-n2c(nc4cc[c-][n+](C)c42)C3)C1.

What is the InChIKey of CID 158313051?

The InChIKey is PHLQUGTXTVTGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-11-9-13-6-7-14-10-16-20-15-5-4-8-21(3)19(15)22(16)18(14)17(13)12(11)2/h4-7H,9-10H2,1-3H3.

What are the key properties of CID 158313051?

CID 158313051 has a molecular weight of 287.37 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158313051 is sourced from PubChem (CID 158313051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158313051 — identifiers, structure, computed properties (public domain)

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