lithium 2-(2-phenylquinazolin-4-yl)phenolate

C20H13LiN2O — CID 122640023

IUPAClithium 2-(2-phenylquinazolin-4-yl)phenolate
SMILES[Li+].[O-]c1ccccc1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H14N2O.Li/c23-18-13-7-5-11-16(18)19-15-10-4-6-12-17(15)21-20(22-19)14-8-2-1-3-9-14;/h1-13,23H;/q;+1/p-1
InChIKeyQZPIWLOHKJDYDH-UHFFFAOYSA-M
MW304.28 g/mol
LogP1.04
Rot. Bonds2

About lithium 2-(2-phenylquinazolin-4-yl)phenolate

lithium 2-(2-phenylquinazolin-4-yl)phenolate (PubChem CID 122640023) has the molecular formula C20H13LiN2O and a molecular weight of 304.28 g/mol. Its IUPAC name is lithium 2-(2-phenylquinazolin-4-yl)phenolate.

Molecular Properties

Compound Namelithium 2-(2-phenylquinazolin-4-yl)phenolate
PubChem CID122640023
Molecular FormulaC20H13LiN2O
Molecular Weight304.28 g/mol
Exact Mass304.12
IUPAC Namelithium 2-(2-phenylquinazolin-4-yl)phenolate
SMILES[Li+].[O-]c1ccccc1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H14N2O.Li/c23-18-13-7-5-11-16(18)19-15-10-4-6-12-17(15)21-20(22-19)14-8-2-1-3-9-14;/h1-13,23H;/q;+1/p-1
InChIKeyQZPIWLOHKJDYDH-UHFFFAOYSA-M
XLogP1.04
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(2-phenylquinazolin-4-yl)phenolate?
The IUPAC name of lithium 2-(2-phenylquinazolin-4-yl)phenolate (CID 122640023) is lithium 2-(2-phenylquinazolin-4-yl)phenolate.
What is the SMILES notation for lithium 2-(2-phenylquinazolin-4-yl)phenolate?
The canonical SMILES for lithium 2-(2-phenylquinazolin-4-yl)phenolate is [Li+].[O-]c1ccccc1-c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of lithium 2-(2-phenylquinazolin-4-yl)phenolate?
The InChIKey is QZPIWLOHKJDYDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H14N2O.Li/c23-18-13-7-5-11-16(18)19-15-10-4-6-12-17(15)21-20(22-19)14-8-2-1-3-9-14;/h1-13,23H;/q;+1/p-1.
What are the key properties of lithium 2-(2-phenylquinazolin-4-yl)phenolate?
lithium 2-(2-phenylquinazolin-4-yl)phenolate has a molecular weight of 304.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(2-phenylquinazolin-4-yl)phenolate is sourced from PubChem (CID 122640023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).