N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine

C21H19N3OS — CID 91964419

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
SMILESCOc1ccccc1CCNc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H19N3OS/c1-25-18-10-5-2-7-15(18)12-13-22-20-16-8-3-4-9-17(16)23-21(24-20)19-11-6-14-26-19/h2-11,14H,12-13H2,1H3,(H,22,23,24)
InChIKeyCAQLEKTUTAFAPO-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.02
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine

N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 91964419) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
PubChem CID91964419
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
SMILESCOc1ccccc1CCNc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H19N3OS/c1-25-18-10-5-2-7-15(18)12-13-22-20-16-8-3-4-9-17(16)23-21(24-20)19-11-6-14-26-19/h2-11,14H,12-13H2,1H3,(H,22,23,24)
InChIKeyCAQLEKTUTAFAPO-UHFFFAOYSA-N
XLogP5.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methoxyphenyl)ethyl]-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

Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356
6-[(2-thiophen-2-ylquinazolin-4-yl)amino]hexanoic acid
CID 91964437
1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea
CID 42809298
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol
CID 19392297
2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 91964583
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine (CID 91964419) is N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine is COc1ccccc1CCNc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is CAQLEKTUTAFAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-25-18-10-5-2-7-15(18)12-13-22-20-16-8-3-4-9-17(16)23-21(24-20)19-11-6-14-26-19/h2-11,14H,12-13H2,1H3,(H,22,23,24).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine?
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 91964419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).