6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C20H17N3S — CID 3234464

IUPAC6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1
InChIInChI=1S/C20H17N3S/c1-14-5-2-3-7-17(14)15-8-9-19-18(11-15)20(23-13-22-19)21-12-16-6-4-10-24-16/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyJCXYQXGBSULZJL-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.28
Rot. Bonds4

About 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 3234464) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID3234464
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1
InChIInChI=1S/C20H17N3S/c1-14-5-2-3-7-17(14)15-8-9-19-18(11-15)20(23-13-22-19)21-12-16-6-4-10-24-16/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyJCXYQXGBSULZJL-UHFFFAOYSA-N
XLogP5.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 3234464) is 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is Cc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1.
What is the InChIKey of 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is JCXYQXGBSULZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-14-5-2-3-7-17(14)15-8-9-19-18(11-15)20(23-13-22-19)21-12-16-6-4-10-24-16/h2-11,13H,12H2,1H3,(H,21,22,23).
What are the key properties of 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 331.44 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3234464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).