N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C21H18N4 — CID 7765679

IUPACN-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H18N4/c1-25(15-16-8-3-2-4-9-16)21-18-11-5-6-12-19(18)23-20(24-21)17-10-7-13-22-14-17/h2-14H,15H2,1H3
InChIKeyPAQBPQCMNHPOIO-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.33
Rot. Bonds4

About N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine

N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 7765679) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID7765679
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H18N4/c1-25(15-16-8-3-2-4-9-16)21-18-11-5-6-12-19(18)23-20(24-21)17-10-7-13-22-14-17/h2-14H,15H2,1H3
InChIKeyPAQBPQCMNHPOIO-UHFFFAOYSA-N
XLogP4.33
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-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-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 7765679) is N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CN(Cc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is PAQBPQCMNHPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-25(15-16-8-3-2-4-9-16)21-18-11-5-6-12-19(18)23-20(24-21)17-10-7-13-22-14-17/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 7765679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).