5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one

C24H17ClN6O — CID 156536939

IUPAC5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one
SMILESCN(c1cccc(-c2ccc3c(c2)CC(=O)N3)c1)c1nc2nncn2c2cc(Cl)ccc12
InChIInChI=1S/C24H17ClN6O/c1-30(23-19-7-6-17(25)12-21(19)31-13-26-29-24(31)28-23)18-4-2-3-14(10-18)15-5-8-20-16(9-15)11-22(32)27-20/h2-10,12-13H,11H2,1H3,(H,27,32)
InChIKeyFAJBMLKCFMVQQF-UHFFFAOYSA-N
MW440.89 g/mol
LogP4.86
Rot. Bonds3

About 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one

5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one (PubChem CID 156536939) has the molecular formula C24H17ClN6O and a molecular weight of 440.89 g/mol. Its IUPAC name is 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one
PubChem CID156536939
Molecular FormulaC24H17ClN6O
Molecular Weight440.89 g/mol
Exact Mass440.12
IUPAC Name5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one
SMILESCN(c1cccc(-c2ccc3c(c2)CC(=O)N3)c1)c1nc2nncn2c2cc(Cl)ccc12
InChIInChI=1S/C24H17ClN6O/c1-30(23-19-7-6-17(25)12-21(19)31-13-26-29-24(31)28-23)18-4-2-3-14(10-18)15-5-8-20-16(9-15)11-22(32)27-20/h2-10,12-13H,11H2,1H3,(H,27,32)
InChIKeyFAJBMLKCFMVQQF-UHFFFAOYSA-N
XLogP4.86
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one (CID 156536939) is 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one is CN(c1cccc(-c2ccc3c(c2)CC(=O)N3)c1)c1nc2nncn2c2cc(Cl)ccc12.
What is the InChIKey of 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one?
The InChIKey is FAJBMLKCFMVQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O/c1-30(23-19-7-6-17(25)12-21(19)31-13-26-29-24(31)28-23)18-4-2-3-14(10-18)15-5-8-20-16(9-15)11-22(32)27-20/h2-10,12-13H,11H2,1H3,(H,27,32).
What are the key properties of 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one?
5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one has a molecular weight of 440.89 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 156536939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).