8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C25H18ClN5O — CID 156536259

IUPAC8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1nc2nncn2c2cc(Cl)ccc12)c1cccc2c1oc1cc(C3CC3)ccc12
InChIInChI=1S/C25H18ClN5O/c1-30(24-19-10-8-16(26)12-21(19)31-13-27-29-25(31)28-24)20-4-2-3-18-17-9-7-15(14-5-6-14)11-22(17)32-23(18)20/h2-4,7-14H,5-6H2,1H3
InChIKeyVBGUVEIDARPJCK-UHFFFAOYSA-N
MW439.91 g/mol
LogP6.48
Rot. Bonds3

About 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536259) has the molecular formula C25H18ClN5O and a molecular weight of 439.91 g/mol. Its IUPAC name is 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536259
Molecular FormulaC25H18ClN5O
Molecular Weight439.91 g/mol
Exact Mass439.12
IUPAC Name8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1nc2nncn2c2cc(Cl)ccc12)c1cccc2c1oc1cc(C3CC3)ccc12
InChIInChI=1S/C25H18ClN5O/c1-30(24-19-10-8-16(26)12-21(19)31-13-27-29-25(31)28-24)20-4-2-3-18-17-9-7-15(14-5-6-14)11-22(17)32-23(18)20/h2-4,7-14H,5-6H2,1H3
InChIKeyVBGUVEIDARPJCK-UHFFFAOYSA-N
XLogP6.48
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.91
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536259) is 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1nc2nncn2c2cc(Cl)ccc12)c1cccc2c1oc1cc(C3CC3)ccc12.
What is the InChIKey of 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is VBGUVEIDARPJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5O/c1-30(24-19-10-8-16(26)12-21(19)31-13-27-29-25(31)28-24)20-4-2-3-18-17-9-7-15(14-5-6-14)11-22(17)32-23(18)20/h2-4,7-14H,5-6H2,1H3.
What are the key properties of 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 439.91 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(7-cyclopropyldibenzofuran-4-yl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).