3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol

C17H15N3O2 — CID 46843406

IUPAC3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol
SMILESCCNc1nc(-c2ccco2)nc2ccc(C#CCO)cc12
InChIInChI=1S/C17H15N3O2/c1-2-18-16-13-11-12(5-3-9-21)7-8-14(13)19-17(20-16)15-6-4-10-22-15/h4,6-8,10-11,21H,2,9H2,1H3,(H,18,19,20)
InChIKeyYBCORCFJDXLBDJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.67
Rot. Bonds3

About 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol

3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol (PubChem CID 46843406) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol
PubChem CID46843406
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol
SMILESCCNc1nc(-c2ccco2)nc2ccc(C#CCO)cc12
InChIInChI=1S/C17H15N3O2/c1-2-18-16-13-11-12(5-3-9-21)7-8-14(13)19-17(20-16)15-6-4-10-22-15/h4,6-8,10-11,21H,2,9H2,1H3,(H,18,19,20)
InChIKeyYBCORCFJDXLBDJ-UHFFFAOYSA-N
XLogP2.67
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol (CID 46843406) is 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol is CCNc1nc(-c2ccco2)nc2ccc(C#CCO)cc12.
What is the InChIKey of 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol?
The InChIKey is YBCORCFJDXLBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-18-16-13-11-12(5-3-9-21)7-8-14(13)19-17(20-16)15-6-4-10-22-15/h4,6-8,10-11,21H,2,9H2,1H3,(H,18,19,20).
What are the key properties of 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol?
3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol has a molecular weight of 293.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol is sourced from PubChem (CID 46843406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).