2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

C28H22N6O — CID 139377061

IUPAC2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESC1=C(c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)C=C(c2cnco2)CN1
InChIInChI=1S/C28H22N6O/c1-2-7-19(8-3-1)23-10-6-11-24-26(23)28(32-16-22-9-4-5-12-31-22)34-27(33-24)21-13-20(14-29-15-21)25-17-30-18-35-25/h1-13,15,17-18,29H,14,16H2,(H,32,33,34)
InChIKeyIHRURLKRQLOTME-UHFFFAOYSA-N
MW458.53 g/mol
LogP5.32
Rot. Bonds6

About 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 139377061) has the molecular formula C28H22N6O and a molecular weight of 458.53 g/mol. Its IUPAC name is 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID139377061
Molecular FormulaC28H22N6O
Molecular Weight458.53 g/mol
Exact Mass458.19
IUPAC Name2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESC1=C(c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)C=C(c2cnco2)CN1
InChIInChI=1S/C28H22N6O/c1-2-7-19(8-3-1)23-10-6-11-24-26(23)28(32-16-22-9-4-5-12-31-22)34-27(33-24)21-13-20(14-29-15-21)25-17-30-18-35-25/h1-13,15,17-18,29H,14,16H2,(H,32,33,34)
InChIKeyIHRURLKRQLOTME-UHFFFAOYSA-N
XLogP5.32
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-ethynyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 122643344
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
CID 51030922
2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide
CID 166810814
N-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfinamide
CID 139377274
6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide
CID 51029627
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-carbohydrazide
CID 67055923
5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde
CID 86670619
2-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]propanamide
CID 51030081
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide
CID 126518365
2-ethynyl-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-N-(pyridin-2-ylmethyl)-2-(2H-triazol-4-yl)quinazolin-4-amine
CID 157079210
2-[5-(aminomethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 159681048
2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 151099303

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 139377061) is 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is C1=C(c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)C=C(c2cnco2)CN1.
What is the InChIKey of 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is IHRURLKRQLOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O/c1-2-7-19(8-3-1)23-10-6-11-24-26(23)28(32-16-22-9-4-5-12-31-22)34-27(33-24)21-13-20(14-29-15-21)25-17-30-18-35-25/h1-13,15,17-18,29H,14,16H2,(H,32,33,34).
What are the key properties of 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 458.53 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-oxazol-5-yl)-1,2-dihydropyridin-5-yl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 139377061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).