7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

C22H24FN3O2 — CID 24948948

IUPAC7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C22H24FN3O2/c1-16-24-21-15-17(23)5-10-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
InChIKeyLKAZFPWWTLHHFL-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.70
Rot. Bonds6

About 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 24948948) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID24948948
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C22H24FN3O2/c1-16-24-21-15-17(23)5-10-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
InChIKeyLKAZFPWWTLHHFL-UHFFFAOYSA-N
XLogP3.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.70
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 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 24948948) is 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is LKAZFPWWTLHHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16-24-21-15-17(23)5-10-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3.
What are the key properties of 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 381.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 24948948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).