5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde

C21H16N4O — CID 86670619

IUPAC5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde
SMILESO=Cc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C21H16N4O/c26-14-19-24-18-11-6-10-17(15-7-2-1-3-8-15)20(18)21(25-19)23-13-16-9-4-5-12-22-16/h1-12,14H,13H2,(H,23,24,25)
InChIKeyLMAAGJCVQNQAOB-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.12
Rot. Bonds5

About 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde

5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde (PubChem CID 86670619) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde.

Molecular Properties

Compound Name5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde
PubChem CID86670619
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde
SMILESO=Cc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C21H16N4O/c26-14-19-24-18-11-6-10-17(15-7-2-1-3-8-15)20(18)21(25-19)23-13-16-9-4-5-12-22-16/h1-12,14H,13H2,(H,23,24,25)
InChIKeyLMAAGJCVQNQAOB-UHFFFAOYSA-N
XLogP4.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde?
The IUPAC name of 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde (CID 86670619) is 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde.
What is the SMILES notation for 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde?
The canonical SMILES for 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde is O=Cc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1.
What is the InChIKey of 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde?
The InChIKey is LMAAGJCVQNQAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-14-19-24-18-11-6-10-17(15-7-2-1-3-8-15)20(18)21(25-19)23-13-16-9-4-5-12-22-16/h1-12,14H,13H2,(H,23,24,25).
What are the key properties of 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde?
5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde has a molecular weight of 340.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde is sourced from PubChem (CID 86670619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).