2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one

C25H29N5O — CID 156889280

IUPAC2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one
SMILESCn1cc2cc(-c3nc4ccc(C5CC(C)(C)NC(C)(C)C5)cc4c(=O)[nH]3)ccc2n1
InChIInChI=1S/C25H29N5O/c1-24(2)12-18(13-25(3,4)29-24)15-6-9-21-19(11-15)23(31)27-22(26-21)16-7-8-20-17(10-16)14-30(5)28-20/h6-11,14,18,29H,12-13H2,1-5H3,(H,26,27,31)
InChIKeySLOSDLIPLRIZNZ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.50
Rot. Bonds2

About 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one

2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one (PubChem CID 156889280) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one
PubChem CID156889280
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one
SMILESCn1cc2cc(-c3nc4ccc(C5CC(C)(C)NC(C)(C)C5)cc4c(=O)[nH]3)ccc2n1
InChIInChI=1S/C25H29N5O/c1-24(2)12-18(13-25(3,4)29-24)15-6-9-21-19(11-15)23(31)27-22(26-21)16-7-8-20-17(10-16)14-30(5)28-20/h6-11,14,18,29H,12-13H2,1-5H3,(H,26,27,31)
InChIKeySLOSDLIPLRIZNZ-UHFFFAOYSA-N
XLogP4.50
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one (CID 156889280) is 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one is Cn1cc2cc(-c3nc4ccc(C5CC(C)(C)NC(C)(C)C5)cc4c(=O)[nH]3)ccc2n1.
What is the InChIKey of 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one?
The InChIKey is SLOSDLIPLRIZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-24(2)12-18(13-25(3,4)29-24)15-6-9-21-19(11-15)23(31)27-22(26-21)16-7-8-20-17(10-16)14-30(5)28-20/h6-11,14,18,29H,12-13H2,1-5H3,(H,26,27,31).
What are the key properties of 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one?
2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one has a molecular weight of 415.54 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindazol-5-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 156889280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).