4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline

C19H16BrFN2O3 — CID 22243914

IUPAC4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline
SMILESCOc1cc2c(Oc3ccc(Br)cc3F)ncnc2cc1OCC1CC1
InChIInChI=1S/C19H16BrFN2O3/c1-24-17-7-13-15(8-18(17)25-9-11-2-3-11)22-10-23-19(13)26-16-5-4-12(20)6-14(16)21/h4-8,10-11H,2-3,9H2,1H3
InChIKeyKGJIQLUCHCFFAP-UHFFFAOYSA-N
MW419.25 g/mol
LogP5.12
Rot. Bonds6

About 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline

4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline (PubChem CID 22243914) has the molecular formula C19H16BrFN2O3 and a molecular weight of 419.25 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline
PubChem CID22243914
Molecular FormulaC19H16BrFN2O3
Molecular Weight419.25 g/mol
Exact Mass418.03
IUPAC Name4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline
SMILESCOc1cc2c(Oc3ccc(Br)cc3F)ncnc2cc1OCC1CC1
InChIInChI=1S/C19H16BrFN2O3/c1-24-17-7-13-15(8-18(17)25-9-11-2-3-11)22-10-23-19(13)26-16-5-4-12(20)6-14(16)21/h4-8,10-11H,2-3,9H2,1H3
InChIKeyKGJIQLUCHCFFAP-UHFFFAOYSA-N
XLogP5.12
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.25
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline (CID 22243914) is 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline is COc1cc2c(Oc3ccc(Br)cc3F)ncnc2cc1OCC1CC1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline?
The InChIKey is KGJIQLUCHCFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O3/c1-24-17-7-13-15(8-18(17)25-9-11-2-3-11)22-10-23-19(13)26-16-5-4-12(20)6-14(16)21/h4-8,10-11H,2-3,9H2,1H3.
What are the key properties of 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline?
4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline has a molecular weight of 419.25 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)-7-(cyclopropylmethoxy)-6-methoxyquinazoline is sourced from PubChem (CID 22243914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).