2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C19H14ClN3S — CID 20963267

IUPAC2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESClc1ccc(-c2nc(NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C19H14ClN3S/c20-14-9-7-13(8-10-14)18-22-17-6-2-1-5-16(17)19(23-18)21-12-15-4-3-11-24-15/h1-11H,12H2,(H,21,22,23)
InChIKeyRCLPYRFQWRZWMC-UHFFFAOYSA-N
MW351.86 g/mol
LogP5.62
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 20963267) has the molecular formula C19H14ClN3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID20963267
Molecular FormulaC19H14ClN3S
Molecular Weight351.86 g/mol
Exact Mass351.06
IUPAC Name2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESClc1ccc(-c2nc(NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C19H14ClN3S/c20-14-9-7-13(8-10-14)18-22-17-6-2-1-5-16(17)19(23-18)21-12-15-4-3-11-24-15/h1-11H,12H2,(H,21,22,23)
InChIKeyRCLPYRFQWRZWMC-UHFFFAOYSA-N
XLogP5.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 20963267) is 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is Clc1ccc(-c2nc(NCc3cccs3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is RCLPYRFQWRZWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3S/c20-14-9-7-13(8-10-14)18-22-17-6-2-1-5-16(17)19(23-18)21-12-15-4-3-11-24-15/h1-11H,12H2,(H,21,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 351.86 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 20963267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).