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

C20H17N3OS — CID 44968200

IUPAC6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)cc1
InChIInChI=1S/C20H17N3OS/c1-24-16-7-4-14(5-8-16)15-6-9-19-18(11-15)20(23-13-22-19)21-12-17-3-2-10-25-17/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyRZWICVKPMKJLJR-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.98
Rot. Bonds5

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

6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 44968200) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID44968200
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)cc1
InChIInChI=1S/C20H17N3OS/c1-24-16-7-4-14(5-8-16)15-6-9-19-18(11-15)20(23-13-22-19)21-12-17-3-2-10-25-17/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyRZWICVKPMKJLJR-UHFFFAOYSA-N
XLogP4.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 44968200) is 6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is COc1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is RZWICVKPMKJLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-16-7-4-14(5-8-16)15-6-9-19-18(11-15)20(23-13-22-19)21-12-17-3-2-10-25-17/h2-11,13H,12H2,1H3,(H,21,22,23).
What are the key properties of 6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 44968200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).