2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

C23H27N3O2 — CID 23151199

IUPAC2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C23H27N3O2/c1-18-24-22-9-4-3-8-21(22)23(27)26(18)19-10-12-20(13-11-19)28-17-7-16-25-14-5-2-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
InChIKeySNAHQQBXZGIQLV-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.95
Rot. Bonds6

About 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 23151199) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID23151199
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C23H27N3O2/c1-18-24-22-9-4-3-8-21(22)23(27)26(18)19-10-12-20(13-11-19)28-17-7-16-25-14-5-2-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
InChIKeySNAHQQBXZGIQLV-UHFFFAOYSA-N
XLogP3.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 23151199) is 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is SNAHQQBXZGIQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18-24-22-9-4-3-8-21(22)23(27)26(18)19-10-12-20(13-11-19)28-17-7-16-25-14-5-2-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3.
What are the key properties of 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 377.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 23151199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).