CID 158313051

C19H17N3 — CID 158313051

IUPAC—
SMILESCC1=C(C)c2c(ccc3c2-n2c(nc4cc[c-][n+](C)c42)C3)C1
InChIInChI=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
InChIKeyPHLQUGTXTVTGHY-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.90
Rot. Bonds

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 NameCID 158313051
PubChem CID158313051
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name—
SMILESCC1=C(C)c2c(ccc3c2-n2c(nc4cc[c-][n+](C)c42)C3)C1
InChIInChI=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
InChIKeyPHLQUGTXTVTGHY-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).