2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine

C18H14ClN3S2 — CID 91964585

IUPAC2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESClc1ccsc1-c1nc(NCCc2cccs2)c2ccccc2n1
InChIInChI=1S/C18H14ClN3S2/c19-14-8-11-24-16(14)18-21-15-6-2-1-5-13(15)17(22-18)20-9-7-12-4-3-10-23-12/h1-6,8,10-11H,7,9H2,(H,20,21,22)
InChIKeySPURGLVYPGZRJN-UHFFFAOYSA-N
MW371.92 g/mol
LogP5.73
Rot. Bonds5

About 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine

2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine (PubChem CID 91964585) has the molecular formula C18H14ClN3S2 and a molecular weight of 371.92 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
PubChem CID91964585
Molecular FormulaC18H14ClN3S2
Molecular Weight371.92 g/mol
Exact Mass371.03
IUPAC Name2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESClc1ccsc1-c1nc(NCCc2cccs2)c2ccccc2n1
InChIInChI=1S/C18H14ClN3S2/c19-14-8-11-24-16(14)18-21-15-6-2-1-5-13(15)17(22-18)20-9-7-12-4-3-10-23-12/h1-6,8,10-11H,7,9H2,(H,20,21,22)
InChIKeySPURGLVYPGZRJN-UHFFFAOYSA-N
XLogP5.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.92
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 166632975
2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963837
2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 91964577
2-N-(3-chloro-4-methylphenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963841
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
2-chloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773970
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine (CID 91964585) is 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine is Clc1ccsc1-c1nc(NCCc2cccs2)c2ccccc2n1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The InChIKey is SPURGLVYPGZRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3S2/c19-14-8-11-24-16(14)18-21-15-6-2-1-5-13(15)17(22-18)20-9-7-12-4-3-10-23-12/h1-6,8,10-11H,7,9H2,(H,20,21,22).
What are the key properties of 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine has a molecular weight of 371.92 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 91964585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).