6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

C20H16N4O2 — CID 135128031

IUPAC6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOOc1cccc(-c2ccc3nc(-c4cccnc4)nc(N)c3c2)c1
InChIInChI=1S/C20H16N4O2/c1-25-26-16-6-2-4-13(10-16)14-7-8-18-17(11-14)19(21)24-20(23-18)15-5-3-9-22-12-15/h2-12H,1H3,(H2,21,23,24)
InChIKeyWASABKIWMJVNPB-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.88
Rot. Bonds4

About 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 135128031) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID135128031
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOOc1cccc(-c2ccc3nc(-c4cccnc4)nc(N)c3c2)c1
InChIInChI=1S/C20H16N4O2/c1-25-26-16-6-2-4-13(10-16)14-7-8-18-17(11-14)19(21)24-20(23-18)15-5-3-9-22-12-15/h2-12H,1H3,(H2,21,23,24)
InChIKeyWASABKIWMJVNPB-UHFFFAOYSA-N
XLogP3.88
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-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-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine
CID 71180731
4-amino-2-pyridin-3-ylquinazolin-6-ol
CID 141310515
4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
CID 89417196
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
7-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 90989362
formamide;6-(3-methoxyphenyl)-N-propyl-2-pyridin-3-ylquinazolin-4-amine
CID 144500701
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
CID 71181256
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 135128031) is 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COOc1cccc(-c2ccc3nc(-c4cccnc4)nc(N)c3c2)c1.
What is the InChIKey of 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is WASABKIWMJVNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-25-26-16-6-2-4-13(10-16)14-7-8-18-17(11-14)19(21)24-20(23-18)15-5-3-9-22-12-15/h2-12H,1H3,(H2,21,23,24).
What are the key properties of 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 344.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 135128031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).