[5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol

C18H15N3O2S — CID 46916173

IUPAC[5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1
InChIInChI=1S/C18H15N3O2S/c22-10-13-4-6-17(23-13)12-3-5-16-15(8-12)18(21-11-20-16)19-9-14-2-1-7-24-14/h1-8,11,22H,9-10H2,(H,19,20,21)
InChIKeyBHDGQUVMEWPKHJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.06
Rot. Bonds5

About [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol

[5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol (PubChem CID 46916173) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol
PubChem CID46916173
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name[5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1
InChIInChI=1S/C18H15N3O2S/c22-10-13-4-6-17(23-13)12-3-5-16-15(8-12)18(21-11-20-16)19-9-14-2-1-7-24-14/h1-8,11,22H,9-10H2,(H,19,20,21)
InChIKeyBHDGQUVMEWPKHJ-UHFFFAOYSA-N
XLogP4.06
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol?
The IUPAC name of [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol (CID 46916173) is [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol is OCc1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1.
What is the InChIKey of [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol?
The InChIKey is BHDGQUVMEWPKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-10-13-4-6-17(23-13)12-3-5-16-15(8-12)18(21-11-20-16)19-9-14-2-1-7-24-14/h1-8,11,22H,9-10H2,(H,19,20,21).
What are the key properties of [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol?
[5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol has a molecular weight of 337.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-yl]methanol is sourced from PubChem (CID 46916173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).