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

C24H29N3O2 — CID 24951351

IUPAC2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-2-8-23-25-22-10-4-3-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-18-7-17-26-15-5-6-16-26/h3-4,9-14H,2,5-8,15-18H2,1H3
InChIKeyNDUMFVSNOPWSFO-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.20
Rot. Bonds8

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

2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 24951351) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID24951351
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-2-8-23-25-22-10-4-3-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-18-7-17-26-15-5-6-16-26/h3-4,9-14H,2,5-8,15-18H2,1H3
InChIKeyNDUMFVSNOPWSFO-UHFFFAOYSA-N
XLogP4.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.20
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-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 24951351) is 2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is NDUMFVSNOPWSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-8-23-25-22-10-4-3-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-18-7-17-26-15-5-6-16-26/h3-4,9-14H,2,5-8,15-18H2,1H3.
What are the key properties of 2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 24951351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).