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

C23H27N3O2 — CID 11516387

IUPAC2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C23H27N3O2/c1-2-22-24-21-9-4-3-8-20(21)23(27)26(22)18-10-12-19(13-11-18)28-17-7-16-25-14-5-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
InChIKeyUOYNTVLLDJWUQI-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.81
Rot. Bonds7

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

2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 11516387) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID11516387
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C23H27N3O2/c1-2-22-24-21-9-4-3-8-20(21)23(27)26(22)18-10-12-19(13-11-18)28-17-7-16-25-14-5-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
InChIKeyUOYNTVLLDJWUQI-UHFFFAOYSA-N
XLogP3.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.81
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-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 11516387) is 2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is CCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is UOYNTVLLDJWUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-22-24-21-9-4-3-8-20(21)23(27)26(22)18-10-12-19(13-11-18)28-17-7-16-25-14-5-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3.
What are the key properties of 2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 377.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 11516387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).