3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one

C25H23FN2O5 — CID 118722448

IUPAC3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2ncn(Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)c2cc1OC
InChIInChI=1S/C25H23FN2O5/c1-30-22-10-17(6-9-21(22)33-14-16-4-7-18(26)8-5-16)13-28-15-27-20-12-24(32-3)23(31-2)11-19(20)25(28)29/h4-12,15H,13-14H2,1-3H3
InChIKeyHFVMQPVOQJOMSZ-UHFFFAOYSA-N
MW450.47 g/mol
LogP4.19
Rot. Bonds8

About 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one

3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one (PubChem CID 118722448) has the molecular formula C25H23FN2O5 and a molecular weight of 450.47 g/mol. Its IUPAC name is 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one
PubChem CID118722448
Molecular FormulaC25H23FN2O5
Molecular Weight450.47 g/mol
Exact Mass450.16
IUPAC Name3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2ncn(Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)c2cc1OC
InChIInChI=1S/C25H23FN2O5/c1-30-22-10-17(6-9-21(22)33-14-16-4-7-18(26)8-5-16)13-28-15-27-20-12-24(32-3)23(31-2)11-19(20)25(28)29/h4-12,15H,13-14H2,1-3H3
InChIKeyHFVMQPVOQJOMSZ-UHFFFAOYSA-N
XLogP4.19
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one?
The IUPAC name of 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one (CID 118722448) is 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one.
What is the SMILES notation for 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one?
The canonical SMILES for 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one is COc1cc2ncn(Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)c2cc1OC.
What is the InChIKey of 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one?
The InChIKey is HFVMQPVOQJOMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5/c1-30-22-10-17(6-9-21(22)33-14-16-4-7-18(26)8-5-16)13-28-15-27-20-12-24(32-3)23(31-2)11-19(20)25(28)29/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one?
3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one has a molecular weight of 450.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one is sourced from PubChem (CID 118722448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).