CID 58995324

C18H16N2 — CID 58995324

IUPAC—
SMILES[CH]Cc1cccc(-c2nc(CN)cc3ccccc23)c1
InChIInChI=1S/C18H16N2/c1-2-13-6-5-8-15(10-13)18-17-9-4-3-7-14(17)11-16(12-19)20-18/h1,3-11H,2,12,19H2
InChIKeyCPCIDJPNKDRLIP-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.61
Rot. Bonds3

About CID 58995324

CID 58995324 (PubChem CID 58995324) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol.

Molecular Properties

Compound NameCID 58995324
PubChem CID58995324
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name—
SMILES[CH]Cc1cccc(-c2nc(CN)cc3ccccc23)c1
InChIInChI=1S/C18H16N2/c1-2-13-6-5-8-15(10-13)18-17-9-4-3-7-14(17)11-16(12-19)20-18/h1,3-11H,2,12,19H2
InChIKeyCPCIDJPNKDRLIP-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58995324?
The IUPAC name of CID 58995324 (CID 58995324) is not available.
What is the SMILES notation for CID 58995324?
The canonical SMILES for CID 58995324 is [CH]Cc1cccc(-c2nc(CN)cc3ccccc23)c1.
What is the InChIKey of CID 58995324?
The InChIKey is CPCIDJPNKDRLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-13-6-5-8-15(10-13)18-17-9-4-3-7-14(17)11-16(12-19)20-18/h1,3-11H,2,12,19H2.
What are the key properties of CID 58995324?
CID 58995324 has a molecular weight of 260.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58995324 is sourced from PubChem (CID 58995324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).