5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one

C26H33N3O3 — CID 23151299

IUPAC5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one
SMILESCCCc1nc2cccc(OC)c2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C26H33N3O3/c1-3-9-24-27-22-10-7-11-23(31-2)25(22)26(30)29(24)20-12-14-21(15-13-20)32-19-8-18-28-16-5-4-6-17-28/h7,10-15H,3-6,8-9,16-19H2,1-2H3
InChIKeyASAJBAQXDMLSBF-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.60
Rot. Bonds9

About 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one

5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one (PubChem CID 23151299) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one
PubChem CID23151299
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one
SMILESCCCc1nc2cccc(OC)c2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C26H33N3O3/c1-3-9-24-27-22-10-7-11-23(31-2)25(22)26(30)29(24)20-12-14-21(15-13-20)32-19-8-18-28-16-5-4-6-17-28/h7,10-15H,3-6,8-9,16-19H2,1-2H3
InChIKeyASAJBAQXDMLSBF-UHFFFAOYSA-N
XLogP4.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 23151336
2,5-dimethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11667985
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
6-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one
CID 150607946
2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11545644
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one;2-methyl-5-(trifluoromethyl)-3,1-benzoxazin-4-one;4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 159263126
2-ethyl-5-(2-morpholin-4-ylethoxy)-3-phenylquinazolin-4-one
CID 166785362
7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11596368
2-[3-(azepan-1-yl)propyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 18885665

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one?
The IUPAC name of 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one (CID 23151299) is 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one.
What is the SMILES notation for 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one?
The canonical SMILES for 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one is CCCc1nc2cccc(OC)c2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one?
The InChIKey is ASAJBAQXDMLSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-3-9-24-27-22-10-7-11-23(31-2)25(22)26(30)29(24)20-12-14-21(15-13-20)32-19-8-18-28-16-5-4-6-17-28/h7,10-15H,3-6,8-9,16-19H2,1-2H3.
What are the key properties of 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one?
5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one has a molecular weight of 435.57 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one is sourced from PubChem (CID 23151299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).