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

C20H17N3S — CID 3234199

IUPAC2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C20H17N3S/c1-14-7-2-3-9-16(14)20-22-18-11-5-4-10-17(18)19(23-20)21-13-15-8-6-12-24-15/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeySZOWAIVUSZXVEK-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.28
Rot. Bonds4

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

2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 3234199) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID3234199
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C20H17N3S/c1-14-7-2-3-9-16(14)20-22-18-11-5-4-10-17(18)19(23-20)21-13-15-8-6-12-24-15/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeySZOWAIVUSZXVEK-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 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 3234199) is 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is Cc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is SZOWAIVUSZXVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-14-7-2-3-9-16(14)20-22-18-11-5-4-10-17(18)19(23-20)21-13-15-8-6-12-24-15/h2-12H,13H2,1H3,(H,21,22,23).
What are the key properties of 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-(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 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3234199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).