6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one

C22H23N5O — CID 156888169

IUPAC6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one
SMILESCc1cc(-c2ccc3ncn(C4CCNCC4)c(=O)c3c2)cc2cn(C)nc12
InChIInChI=1S/C22H23N5O/c1-14-9-16(10-17-12-26(2)25-21(14)17)15-3-4-20-19(11-15)22(28)27(13-24-20)18-5-7-23-8-6-18/h3-4,9-13,18,23H,5-8H2,1-2H3
InChIKeyVUPUUPULHYLZOD-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.18
Rot. Bonds2

About 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one

6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one (PubChem CID 156888169) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one
PubChem CID156888169
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one
SMILESCc1cc(-c2ccc3ncn(C4CCNCC4)c(=O)c3c2)cc2cn(C)nc12
InChIInChI=1S/C22H23N5O/c1-14-9-16(10-17-12-26(2)25-21(14)17)15-3-4-20-19(11-15)22(28)27(13-24-20)18-5-7-23-8-6-18/h3-4,9-13,18,23H,5-8H2,1-2H3
InChIKeyVUPUUPULHYLZOD-UHFFFAOYSA-N
XLogP3.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one?
The IUPAC name of 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one (CID 156888169) is 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one.
What is the SMILES notation for 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one?
The canonical SMILES for 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one is Cc1cc(-c2ccc3ncn(C4CCNCC4)c(=O)c3c2)cc2cn(C)nc12.
What is the InChIKey of 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one?
The InChIKey is VUPUUPULHYLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-9-16(10-17-12-26(2)25-21(14)17)15-3-4-20-19(11-15)22(28)27(13-24-20)18-5-7-23-8-6-18/h3-4,9-13,18,23H,5-8H2,1-2H3.
What are the key properties of 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one?
6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one has a molecular weight of 373.46 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one is sourced from PubChem (CID 156888169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).