2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine

C20H16FN3S — CID 59212767

IUPAC2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCCc2cccs2)c2ccccc2n1
InChIInChI=1S/C20H16FN3S/c21-17-9-3-1-7-15(17)20-23-18-10-4-2-8-16(18)19(24-20)22-12-11-14-6-5-13-25-14/h1-10,13H,11-12H2,(H,22,23,24)
InChIKeyDEOISIKNIHYMKF-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.15
Rot. Bonds5

About 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine

2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine (PubChem CID 59212767) has the molecular formula C20H16FN3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
PubChem CID59212767
Molecular FormulaC20H16FN3S
Molecular Weight349.43 g/mol
Exact Mass349.10
IUPAC Name2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCCc2cccs2)c2ccccc2n1
InChIInChI=1S/C20H16FN3S/c21-17-9-3-1-7-15(17)20-23-18-10-4-2-8-16(18)19(24-20)22-12-11-14-6-5-13-25-14/h1-10,13H,11-12H2,(H,22,23,24)
InChIKeyDEOISIKNIHYMKF-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine (CID 59212767) is 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine is Fc1ccccc1-c1nc(NCCc2cccs2)c2ccccc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The InChIKey is DEOISIKNIHYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3S/c21-17-9-3-1-7-15(17)20-23-18-10-4-2-8-16(18)19(24-20)22-12-11-14-6-5-13-25-14/h1-10,13H,11-12H2,(H,22,23,24).
What are the key properties of 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine has a molecular weight of 349.43 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 59212767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).