3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one

C21H21N5O — CID 156889049

IUPAC3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one
SMILESCn1cc2cc(-n3cnc4cc(C5CCNCC5)ccc4c3=O)ccc2n1
InChIInChI=1S/C21H21N5O/c1-25-12-16-10-17(3-5-19(16)24-25)26-13-23-20-11-15(2-4-18(20)21(26)27)14-6-8-22-9-7-14/h2-5,10-14,22H,6-9H2,1H3
InChIKeyQIENMJZGWMTSJV-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.74
Rot. Bonds2

About 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one

3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one (PubChem CID 156889049) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one
PubChem CID156889049
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one
SMILESCn1cc2cc(-n3cnc4cc(C5CCNCC5)ccc4c3=O)ccc2n1
InChIInChI=1S/C21H21N5O/c1-25-12-16-10-17(3-5-19(16)24-25)26-13-23-20-11-15(2-4-18(20)21(26)27)14-6-8-22-9-7-14/h2-5,10-14,22H,6-9H2,1H3
InChIKeyQIENMJZGWMTSJV-UHFFFAOYSA-N
XLogP2.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one?
The IUPAC name of 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one (CID 156889049) is 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one.
What is the SMILES notation for 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one?
The canonical SMILES for 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one is Cn1cc2cc(-n3cnc4cc(C5CCNCC5)ccc4c3=O)ccc2n1.
What is the InChIKey of 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one?
The InChIKey is QIENMJZGWMTSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25-12-16-10-17(3-5-19(16)24-25)26-13-23-20-11-15(2-4-18(20)21(26)27)14-6-8-22-9-7-14/h2-5,10-14,22H,6-9H2,1H3.
What are the key properties of 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one?
3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one has a molecular weight of 359.43 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one is sourced from PubChem (CID 156889049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).