N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine

C21H18N4 — CID 3233670

IUPACN-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C21H18N4/c1-15-6-4-7-16(12-15)13-23-21-18-9-2-3-10-19(18)24-20(25-21)17-8-5-11-22-14-17/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyQOIUEXUOSTZEIN-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.61
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine

N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 3233670) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID3233670
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C21H18N4/c1-15-6-4-7-16(12-15)13-23-21-18-9-2-3-10-19(18)24-20(25-21)17-8-5-11-22-14-17/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyQOIUEXUOSTZEIN-UHFFFAOYSA-N
XLogP4.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylphenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 3233670) is N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is Cc1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is QOIUEXUOSTZEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-15-6-4-7-16(12-15)13-23-21-18-9-2-3-10-19(18)24-20(25-21)17-8-5-11-22-14-17/h2-12,14H,13H2,1H3,(H,23,24,25).
What are the key properties of N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 3233670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).