1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C23H20ClN5O2 — CID 26638144

IUPAC1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1nnc2n(C)c(=O)c3ccccc3n12
InChIInChI=1S/C23H20ClN5O2/c1-27(13-17-11-12-20(31-17)15-7-9-16(24)10-8-15)14-21-25-26-23-28(2)22(30)18-5-3-4-6-19(18)29(21)23/h3-12H,13-14H2,1-2H3
InChIKeyVQELGPSSFZAXPZ-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.13
Rot. Bonds5

About 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 26638144) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID26638144
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1nnc2n(C)c(=O)c3ccccc3n12
InChIInChI=1S/C23H20ClN5O2/c1-27(13-17-11-12-20(31-17)15-7-9-16(24)10-8-15)14-21-25-26-23-28(2)22(30)18-5-3-4-6-19(18)29(21)23/h3-12H,13-14H2,1-2H3
InChIKeyVQELGPSSFZAXPZ-UHFFFAOYSA-N
XLogP4.13
TPSA68.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 26638144) is 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1nnc2n(C)c(=O)c3ccccc3n12.
What is the InChIKey of 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is VQELGPSSFZAXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-27(13-17-11-12-20(31-17)15-7-9-16(24)10-8-15)14-21-25-26-23-28(2)22(30)18-5-3-4-6-19(18)29(21)23/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 433.90 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 26638144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).