7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one

C22H24N6O — CID 156888869

IUPAC7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one
SMILESCc1cc(-c2ccc3c(=O)n(N4CCN(C)CC4)cnc3c2)cc2cn(C)nc12
InChIInChI=1S/C22H24N6O/c1-15-10-17(11-18-13-26(3)24-21(15)18)16-4-5-19-20(12-16)23-14-28(22(19)29)27-8-6-25(2)7-9-27/h4-5,10-14H,6-9H2,1-3H3
InChIKeyIWVWIVHLRDKODU-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.14
Rot. Bonds2

About 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one

7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one (PubChem CID 156888869) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one
PubChem CID156888869
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one
SMILESCc1cc(-c2ccc3c(=O)n(N4CCN(C)CC4)cnc3c2)cc2cn(C)nc12
InChIInChI=1S/C22H24N6O/c1-15-10-17(11-18-13-26(3)24-21(15)18)16-4-5-19-20(12-16)23-14-28(22(19)29)27-8-6-25(2)7-9-27/h4-5,10-14H,6-9H2,1-3H3
InChIKeyIWVWIVHLRDKODU-UHFFFAOYSA-N
XLogP2.14
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one (CID 156888869) is 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one is Cc1cc(-c2ccc3c(=O)n(N4CCN(C)CC4)cnc3c2)cc2cn(C)nc12.
What is the InChIKey of 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is IWVWIVHLRDKODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15-10-17(11-18-13-26(3)24-21(15)18)16-4-5-19-20(12-16)23-14-28(22(19)29)27-8-6-25(2)7-9-27/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one?
7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 388.48 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 156888869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).