5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one

C25H19N5O — CID 51030732

IUPAC5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c[nH]1
InChIInChI=1S/C25H19N5O/c31-22-13-12-18(15-27-22)24-29-21-11-6-10-20(17-7-2-1-3-8-17)23(21)25(30-24)28-16-19-9-4-5-14-26-19/h1-15H,16H2,(H,27,31)(H,28,29,30)
InChIKeyKITYXUGKWPDMSJ-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.66
Rot. Bonds5

About 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one (PubChem CID 51030732) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one
PubChem CID51030732
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c[nH]1
InChIInChI=1S/C25H19N5O/c31-22-13-12-18(15-27-22)24-29-21-11-6-10-20(17-7-2-1-3-8-17)23(21)25(30-24)28-16-19-9-4-5-14-26-19/h1-15H,16H2,(H,27,31)(H,28,29,30)
InChIKeyKITYXUGKWPDMSJ-UHFFFAOYSA-N
XLogP4.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one (CID 51030732) is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one is O=c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c[nH]1.
What is the InChIKey of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one?
The InChIKey is KITYXUGKWPDMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c31-22-13-12-18(15-27-22)24-29-21-11-6-10-20(17-7-2-1-3-8-17)23(21)25(30-24)28-16-19-9-4-5-14-26-19/h1-15H,16H2,(H,27,31)(H,28,29,30).
What are the key properties of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one?
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one has a molecular weight of 405.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 51030732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).