7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one

C19H19FN2O3 — CID 10427464

IUPAC7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one
SMILESCOCCn1c(C)nc2cc(OCc3cccc(F)c3)ccc2c1=O
InChIInChI=1S/C19H19FN2O3/c1-13-21-18-11-16(25-12-14-4-3-5-15(20)10-14)6-7-17(18)19(23)22(13)8-9-24-2/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyCBVMRHVDFVUUSP-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.07
Rot. Bonds6

About 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one

7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one (PubChem CID 10427464) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one
PubChem CID10427464
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one
SMILESCOCCn1c(C)nc2cc(OCc3cccc(F)c3)ccc2c1=O
InChIInChI=1S/C19H19FN2O3/c1-13-21-18-11-16(25-12-14-4-3-5-15(20)10-14)6-7-17(18)19(23)22(13)8-9-24-2/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyCBVMRHVDFVUUSP-UHFFFAOYSA-N
XLogP3.07
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one?
The IUPAC name of 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one (CID 10427464) is 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one?
The canonical SMILES for 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one is COCCn1c(C)nc2cc(OCc3cccc(F)c3)ccc2c1=O.
What is the InChIKey of 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one?
The InChIKey is CBVMRHVDFVUUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13-21-18-11-16(25-12-14-4-3-5-15(20)10-14)6-7-17(18)19(23)22(13)8-9-24-2/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one?
7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one has a molecular weight of 342.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methoxy]-3-(2-methoxyethyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 10427464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).