N-benzyl-2-thiophen-2-ylquinazolin-4-amine

C19H15N3S — CID 2573787

IUPACN-benzyl-2-thiophen-2-ylquinazolin-4-amine
SMILESc1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C19H15N3S/c1-2-7-14(8-3-1)13-20-18-15-9-4-5-10-16(15)21-19(22-18)17-11-6-12-23-17/h1-12H,13H2,(H,20,21,22)
InChIKeyXITKIGBKTNSGCP-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.97
Rot. Bonds4

About N-benzyl-2-thiophen-2-ylquinazolin-4-amine

N-benzyl-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 2573787) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-benzyl-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-thiophen-2-ylquinazolin-4-amine
PubChem CID2573787
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC NameN-benzyl-2-thiophen-2-ylquinazolin-4-amine
SMILESc1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C19H15N3S/c1-2-7-14(8-3-1)13-20-18-15-9-4-5-10-16(15)21-19(22-18)17-11-6-12-23-17/h1-12H,13H2,(H,20,21,22)
InChIKeyXITKIGBKTNSGCP-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-thiophen-2-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-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-benzyl-2-thiophen-2-ylquinazolin-4-amine (CID 2573787) is N-benzyl-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-thiophen-2-ylquinazolin-4-amine is c1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1.
What is the InChIKey of N-benzyl-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is XITKIGBKTNSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-2-7-14(8-3-1)13-20-18-15-9-4-5-10-16(15)21-19(22-18)17-11-6-12-23-17/h1-12H,13H2,(H,20,21,22).
What are the key properties of N-benzyl-2-thiophen-2-ylquinazolin-4-amine?
N-benzyl-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 317.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 2573787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).