N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine

C20H17N3S — CID 91964365

IUPACN-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)c(C)c1
InChIInChI=1S/C20H17N3S/c1-13-9-10-16(14(2)12-13)21-19-15-6-3-4-7-17(15)22-20(23-19)18-8-5-11-24-18/h3-12H,1-2H3,(H,21,22,23)
InChIKeyQHVOKGGMWQZSRJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.72
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine

N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 91964365) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine
PubChem CID91964365
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC NameN-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)c(C)c1
InChIInChI=1S/C20H17N3S/c1-13-9-10-16(14(2)12-13)21-19-15-6-3-4-7-17(15)22-20(23-19)18-8-5-11-24-18/h3-12H,1-2H3,(H,21,22,23)
InChIKeyQHVOKGGMWQZSRJ-UHFFFAOYSA-N
XLogP5.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502
N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964379
2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 7728865
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 2806519
methyl 4-(2,4-dimethylanilino)quinazoline-2-carboxylate
CID 139207867
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
3-methyl-1-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrole-2,5-dione
CID 15435237
3-methyl-2-[(2-thiophen-2-ylquinazolin-4-yl)amino]pentanoic acid
CID 91964442
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N-(2-bromo-4-methylphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 3428781

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine (CID 91964365) is N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine is Cc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is QHVOKGGMWQZSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-13-9-10-16(14(2)12-13)21-19-15-6-3-4-7-17(15)22-20(23-19)18-8-5-11-24-18/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine?
N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 331.44 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 91964365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).