6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C17H13N3OS — CID 3234850

IUPAC6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1csc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1
InChIInChI=1S/C17H13N3OS/c1-2-14(22-7-1)9-18-17-15-8-12(13-5-6-21-10-13)3-4-16(15)19-11-20-17/h1-8,10-11H,9H2,(H,18,19,20)
InChIKeyJQTNPGCWKXTRTO-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.56
Rot. Bonds4

About 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 3234850) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID3234850
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1csc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1
InChIInChI=1S/C17H13N3OS/c1-2-14(22-7-1)9-18-17-15-8-12(13-5-6-21-10-13)3-4-16(15)19-11-20-17/h1-8,10-11H,9H2,(H,18,19,20)
InChIKeyJQTNPGCWKXTRTO-UHFFFAOYSA-N
XLogP4.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 3234850) is 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is c1csc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1.
What is the InChIKey of 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is JQTNPGCWKXTRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-2-14(22-7-1)9-18-17-15-8-12(13-5-6-21-10-13)3-4-16(15)19-11-20-17/h1-8,10-11H,9H2,(H,18,19,20).
What are the key properties of 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 307.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3234850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).