2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine

C20H16ClN3O2S — CID 91964516

IUPAC2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3sccc3Cl)nc3ccccc23)c1
InChIInChI=1S/C20H16ClN3O2S/c1-25-12-7-8-17(26-2)16(11-12)23-19-13-5-3-4-6-15(13)22-20(24-19)18-14(21)9-10-27-18/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLLVMEQVZLJNQJY-UHFFFAOYSA-N
MW397.89 g/mol
LogP5.77
Rot. Bonds5

About 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine

2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine (PubChem CID 91964516) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine
PubChem CID91964516
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC Name2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3sccc3Cl)nc3ccccc23)c1
InChIInChI=1S/C20H16ClN3O2S/c1-25-12-7-8-17(26-2)16(11-12)23-19-13-5-3-4-6-15(13)22-20(24-19)18-14(21)9-10-27-18/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLLVMEQVZLJNQJY-UHFFFAOYSA-N
XLogP5.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.89
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-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-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 91964583
2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine
CID 91964581
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
CID 80641658
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine
CID 3712512
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 91964585

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine (CID 91964516) is 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine is COc1ccc(OC)c(Nc2nc(-c3sccc3Cl)nc3ccccc23)c1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine?
The InChIKey is LLVMEQVZLJNQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c1-25-12-7-8-17(26-2)16(11-12)23-19-13-5-3-4-6-15(13)22-20(24-19)18-14(21)9-10-27-18/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine?
2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine has a molecular weight of 397.89 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 91964516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).