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

C24H29N3O2 — CID 11689687

IUPAC3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
InChIKeySTHKIPHGEDOZND-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.34
Rot. Bonds7

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

3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 11689687) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID11689687
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
InChIKeySTHKIPHGEDOZND-UHFFFAOYSA-N
XLogP4.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.34
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 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 11689687) is 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is CCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is STHKIPHGEDOZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3.
What are the key properties of 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 11689687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).