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

C18H17N3O2 — CID 46843405

IUPAC3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol
SMILESCC(C)Nc1nc(-c2ccco2)nc2ccc(C#CCO)cc12
InChIInChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
InChIKeyRXMATXXHYMCLLO-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.05
Rot. Bonds3

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

3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol (PubChem CID 46843405) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol
PubChem CID46843405
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol
SMILESCC(C)Nc1nc(-c2ccco2)nc2ccc(C#CCO)cc12
InChIInChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)
InChIKeyRXMATXXHYMCLLO-UHFFFAOYSA-N
XLogP3.05
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.05
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-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol (CID 46843405) is 3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol is CC(C)Nc1nc(-c2ccco2)nc2ccc(C#CCO)cc12.
What is the InChIKey of 3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol?
The InChIKey is RXMATXXHYMCLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol?
3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol has a molecular weight of 307.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]prop-2-yn-1-ol is sourced from PubChem (CID 46843405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).