N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine

C24H30N6O2 — CID 6622924

IUPACN-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C24H30N6O2/c1-5-29(6-2)14-10-13-25-24-26-19-16-21(32-4)20(31-3)15-18(19)23-27-22(28-30(23)24)17-11-8-7-9-12-17/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3,(H,25,26)
InChIKeyFCDSTYYADHPQEM-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.11
Rot. Bonds10

About N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine

N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 6622924) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID6622924
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C24H30N6O2/c1-5-29(6-2)14-10-13-25-24-26-19-16-21(32-4)20(31-3)15-18(19)23-27-22(28-30(23)24)17-11-8-7-9-12-17/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3,(H,25,26)
InChIKeyFCDSTYYADHPQEM-UHFFFAOYSA-N
XLogP4.11
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine (CID 6622924) is N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12.
What is the InChIKey of N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is FCDSTYYADHPQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-5-29(6-2)14-10-13-25-24-26-19-16-21(32-4)20(31-3)15-18(19)23-27-22(28-30(23)24)17-11-8-7-9-12-17/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3,(H,25,26).
What are the key properties of N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine?
N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 434.54 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 6622924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).