2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide

C23H25N5O3S — CID 15997762

IUPAC2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C23H25N5O3S/c1-5-27(6-2)20(29)14-32-23-24-17-13-19(31-4)18(30-3)12-16(17)22-25-21(26-28(22)23)15-10-8-7-9-11-15/h7-13H,5-6,14H2,1-4H3
InChIKeyIICLIOSZKKQXAM-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.92
Rot. Bonds8

About 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide

2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide (PubChem CID 15997762) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide
PubChem CID15997762
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C23H25N5O3S/c1-5-27(6-2)20(29)14-32-23-24-17-13-19(31-4)18(30-3)12-16(17)22-25-21(26-28(22)23)15-10-8-7-9-11-15/h7-13H,5-6,14H2,1-4H3
InChIKeyIICLIOSZKKQXAM-UHFFFAOYSA-N
XLogP3.92
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide (CID 15997762) is 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12.
What is the InChIKey of 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is IICLIOSZKKQXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-5-27(6-2)20(29)14-32-23-24-17-13-19(31-4)18(30-3)12-16(17)22-25-21(26-28(22)23)15-10-8-7-9-11-15/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide?
2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 451.55 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 15997762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).