6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

C23H27N3O3 — CID 23151224

IUPAC6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCOc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1
InChIInChI=1S/C23H27N3O3/c1-17-24-22-11-10-20(28-2)16-21(22)23(27)26(17)18-6-8-19(9-7-18)29-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
InChIKeyZEYAXGNLTQYPRW-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.57
Rot. Bonds7

About 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 23151224) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID23151224
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCOc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1
InChIInChI=1S/C23H27N3O3/c1-17-24-22-11-10-20(28-2)16-21(22)23(27)26(17)18-6-8-19(9-7-18)29-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
InChIKeyZEYAXGNLTQYPRW-UHFFFAOYSA-N
XLogP3.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 23151224) is 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is COc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is ZEYAXGNLTQYPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-24-22-11-10-20(28-2)16-21(22)23(27)26(17)18-6-8-19(9-7-18)29-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 393.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 23151224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).