3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one

C20H21FN2O3 — CID 45029222

IUPAC3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one
SMILESCCCCn1c(-c2ccc(F)cc2)nc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C20H21FN2O3/c1-4-5-10-23-19(13-6-8-14(21)9-7-13)22-16-12-18(26-3)17(25-2)11-15(16)20(23)24/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyLOBPIIRYGJIUSK-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.02
Rot. Bonds6

About 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one

3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one (PubChem CID 45029222) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one
PubChem CID45029222
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one
SMILESCCCCn1c(-c2ccc(F)cc2)nc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C20H21FN2O3/c1-4-5-10-23-19(13-6-8-14(21)9-7-13)22-16-12-18(26-3)17(25-2)11-15(16)20(23)24/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyLOBPIIRYGJIUSK-UHFFFAOYSA-N
XLogP4.02
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one?
The IUPAC name of 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one (CID 45029222) is 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one.
What is the SMILES notation for 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one?
The canonical SMILES for 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one is CCCCn1c(-c2ccc(F)cc2)nc2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one?
The InChIKey is LOBPIIRYGJIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-4-5-10-23-19(13-6-8-14(21)9-7-13)22-16-12-18(26-3)17(25-2)11-15(16)20(23)24/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one?
3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one has a molecular weight of 356.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one is sourced from PubChem (CID 45029222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).