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

C20H18N4O2 — CID 666504

IUPAC6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCc1nc2n(n1)C(c1ccccc1)C1=C(CC(c3ccco3)CC1=O)N2
InChIInChI=1S/C20H18N4O2/c1-12-21-20-22-15-10-14(17-8-5-9-26-17)11-16(25)18(15)19(24(20)23-12)13-6-3-2-4-7-13/h2-9,14,19H,10-11H2,1H3,(H,21,22,23)
InChIKeyLUKLIBZSUSGGKU-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.60
Rot. Bonds2

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

6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 666504) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID666504
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCc1nc2n(n1)C(c1ccccc1)C1=C(CC(c3ccco3)CC1=O)N2
InChIInChI=1S/C20H18N4O2/c1-12-21-20-22-15-10-14(17-8-5-9-26-17)11-16(25)18(15)19(24(20)23-12)13-6-3-2-4-7-13/h2-9,14,19H,10-11H2,1H3,(H,21,22,23)
InChIKeyLUKLIBZSUSGGKU-UHFFFAOYSA-N
XLogP3.60
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-furyl)-9-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CID 2982131
Methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 5143052
6-(furan-2-yl)-9-(4-hydroxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4972862
9-(2-Ethoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-B]quinazolin-8-one
CID 4445973
9-(Furan-2-yl)-6-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
CID 4894026
9-(2-Furyl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-B]quinazolin-8(4H)-one
CID 3160588
6-(furan-2-yl)-9-pyridin-4-yl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4976376
6-(furan-2-yl)-9-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135587499
9-(4-chlorophenyl)-6-(2-furyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CID 3160605
6-(furan-2-yl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CID 3160606
6-(2-furyl)-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CID 3165066
2-(4-Ethoxyphenyl)-9-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-B]quinazolin-8-one
CID 135575441

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 666504) is 6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is Cc1nc2n(n1)C(c1ccccc1)C1=C(CC(c3ccco3)CC1=O)N2.
What is the InChIKey of 6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is LUKLIBZSUSGGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-21-20-22-15-10-14(17-8-5-9-26-17)11-16(25)18(15)19(24(20)23-12)13-6-3-2-4-7-13/h2-9,14,19H,10-11H2,1H3,(H,21,22,23).
What are the key properties of 6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 346.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 666504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).