3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one

C22H23N3O3 — CID 126783335

IUPAC3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-23-19-6-4-3-5-18(19)21(27)25(15)17-9-7-16(8-10-17)20(26)24-13-11-22(2,28)12-14-24/h3-10,28H,11-14H2,1-2H3
InChIKeyAHLLXALLBXJVIZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.68
Rot. Bonds2

About 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one

3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one (PubChem CID 126783335) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
PubChem CID126783335
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-23-19-6-4-3-5-18(19)21(27)25(15)17-9-7-16(8-10-17)20(26)24-13-11-22(2,28)12-14-24/h3-10,28H,11-14H2,1-2H3
InChIKeyAHLLXALLBXJVIZ-UHFFFAOYSA-N
XLogP2.68
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one (CID 126783335) is 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC(C)(O)CC2)cc1.
What is the InChIKey of 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one?
The InChIKey is AHLLXALLBXJVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-23-19-6-4-3-5-18(19)21(27)25(15)17-9-7-16(8-10-17)20(26)24-13-11-22(2,28)12-14-24/h3-10,28H,11-14H2,1-2H3.
What are the key properties of 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one?
3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one has a molecular weight of 377.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 126783335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).