4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline

C26H17ClFN3O2 — CID 71273733

IUPAC4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Oc4ccc(F)c(Cl)c4)c3c2)c1
InChIInChI=1S/C26H17ClFN3O2/c1-32-19-6-2-4-16(12-19)17-7-10-24-21(13-17)26(33-20-8-9-23(28)22(27)14-20)31-25(30-24)18-5-3-11-29-15-18/h2-15H,1H3
InChIKeyBXBLCRKUIRRIHL-UHFFFAOYSA-N
MW457.89 g/mol
LogP6.95
Rot. Bonds5

About 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline

4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline (PubChem CID 71273733) has the molecular formula C26H17ClFN3O2 and a molecular weight of 457.89 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
PubChem CID71273733
Molecular FormulaC26H17ClFN3O2
Molecular Weight457.89 g/mol
Exact Mass457.10
IUPAC Name4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Oc4ccc(F)c(Cl)c4)c3c2)c1
InChIInChI=1S/C26H17ClFN3O2/c1-32-19-6-2-4-16(12-19)17-7-10-24-21(13-17)26(33-20-8-9-23(28)22(27)14-20)31-25(30-24)18-5-3-11-29-15-18/h2-15H,1H3
InChIKeyBXBLCRKUIRRIHL-UHFFFAOYSA-N
XLogP6.95
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.89
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline (CID 71273733) is 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Oc4ccc(F)c(Cl)c4)c3c2)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The InChIKey is BXBLCRKUIRRIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClFN3O2/c1-32-19-6-2-4-16(12-19)17-7-10-24-21(13-17)26(33-20-8-9-23(28)22(27)14-20)31-25(30-24)18-5-3-11-29-15-18/h2-15H,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline has a molecular weight of 457.89 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 71273733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).