9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C19H16N4O2 — CID 4894026

IUPAC9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2ccccc2)CC2=C1C(c1ccco1)n1ncnc1N2
InChIInChI=1S/C19H16N4O2/c24-15-10-13(12-5-2-1-3-6-12)9-14-17(15)18(16-7-4-8-25-16)23-19(22-14)20-11-21-23/h1-8,11,13,18H,9-10H2,(H,20,21,22)
InChIKeyIGBCCXRSSNBCGZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.29
Rot. Bonds2

About 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 4894026) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID4894026
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2ccccc2)CC2=C1C(c1ccco1)n1ncnc1N2
InChIInChI=1S/C19H16N4O2/c24-15-10-13(12-5-2-1-3-6-12)9-14-17(15)18(16-7-4-8-25-16)23-19(22-14)20-11-21-23/h1-8,11,13,18H,9-10H2,(H,20,21,22)
InChIKeyIGBCCXRSSNBCGZ-UHFFFAOYSA-N
XLogP3.29
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 4894026) is 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is O=C1CC(c2ccccc2)CC2=C1C(c1ccco1)n1ncnc1N2.
What is the InChIKey of 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is IGBCCXRSSNBCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-15-10-13(12-5-2-1-3-6-12)9-14-17(15)18(16-7-4-8-25-16)23-19(22-14)20-11-21-23/h1-8,11,13,18H,9-10H2,(H,20,21,22).
What are the key properties of 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 332.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 4894026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).