4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine

C20H18N4OS — CID 139981950

IUPAC4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3ccccc3Oc3cccs3)c2c1
InChIInChI=1S/C20H18N4OS/c21-15-7-8-17-16(12-15)20(24-13-23-17)22-10-9-14-4-1-2-5-18(14)25-19-6-3-11-26-19/h1-8,11-13H,9-10,21H2,(H,22,23,24)
InChIKeyGUZOXGIWZLXMRU-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.72
Rot. Bonds6

About 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine

4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 139981950) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID139981950
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3ccccc3Oc3cccs3)c2c1
InChIInChI=1S/C20H18N4OS/c21-15-7-8-17-16(12-15)20(24-13-23-17)22-10-9-14-4-1-2-5-18(14)25-19-6-3-11-26-19/h1-8,11-13H,9-10,21H2,(H,22,23,24)
InChIKeyGUZOXGIWZLXMRU-UHFFFAOYSA-N
XLogP4.72
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981834
4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981921
4-N-[2-[2-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981975
4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine
CID 139981788
4-N-[2-(2-cyclopent-2-en-1-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981968
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,6-diamine
CID 106036887
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
4-[(6-aminoquinazolin-4-yl)amino]butanamide
CID 64589483

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine (CID 139981950) is 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(NCCc3ccccc3Oc3cccs3)c2c1.
What is the InChIKey of 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is GUZOXGIWZLXMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c21-15-7-8-17-16(12-15)20(24-13-23-17)22-10-9-14-4-1-2-5-18(14)25-19-6-3-11-26-19/h1-8,11-13H,9-10,21H2,(H,22,23,24).
What are the key properties of 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 362.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 139981950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).