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

C19H15ClN4O2 — CID 3160605

IUPAC9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2ccco2)CC2=C1C(c1ccc(Cl)cc1)n1ncnc1N2
InChIInChI=1S/C19H15ClN4O2/c20-13-5-3-11(4-6-13)18-17-14(23-19-21-10-22-24(18)19)8-12(9-15(17)25)16-2-1-7-26-16/h1-7,10,12,18H,8-9H2,(H,21,22,23)
InChIKeyJQRGZMDLINPLRE-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.94
Rot. Bonds2

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

9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 3160605) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID3160605
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2ccco2)CC2=C1C(c1ccc(Cl)cc1)n1ncnc1N2
InChIInChI=1S/C19H15ClN4O2/c20-13-5-3-11(4-6-13)18-17-14(23-19-21-10-22-24(18)19)8-12(9-15(17)25)16-2-1-7-26-16/h1-7,10,12,18H,8-9H2,(H,21,22,23)
InChIKeyJQRGZMDLINPLRE-UHFFFAOYSA-N
XLogP3.94
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 3160605) is 9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is O=C1CC(c2ccco2)CC2=C1C(c1ccc(Cl)cc1)n1ncnc1N2.
What is the InChIKey of 9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is JQRGZMDLINPLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-13-5-3-11(4-6-13)18-17-14(23-19-21-10-22-24(18)19)8-12(9-15(17)25)16-2-1-7-26-16/h1-7,10,12,18H,8-9H2,(H,21,22,23).
What are the key properties of 9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 366.81 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 3160605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).