3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol

C22H17ClFN3O2 — CID 71179843

IUPAC3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol
SMILESOCCCc1ccc2nc(-c3cccnc3)nc(Oc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C22H17ClFN3O2/c23-18-12-16(6-7-19(18)24)29-22-17-11-14(3-2-10-28)5-8-20(17)26-21(27-22)15-4-1-9-25-13-15/h1,4-9,11-13,28H,2-3,10H2
InChIKeySCLAJRNLIBDQOH-UHFFFAOYSA-N
MW409.85 g/mol
LogP5.20
Rot. Bonds6

About 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol

3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol (PubChem CID 71179843) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol
PubChem CID71179843
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol
SMILESOCCCc1ccc2nc(-c3cccnc3)nc(Oc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C22H17ClFN3O2/c23-18-12-16(6-7-19(18)24)29-22-17-11-14(3-2-10-28)5-8-20(17)26-21(27-22)15-4-1-9-25-13-15/h1,4-9,11-13,28H,2-3,10H2
InChIKeySCLAJRNLIBDQOH-UHFFFAOYSA-N
XLogP5.20
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.85
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol?
The IUPAC name of 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol (CID 71179843) is 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol?
The canonical SMILES for 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol is OCCCc1ccc2nc(-c3cccnc3)nc(Oc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol?
The InChIKey is SCLAJRNLIBDQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c23-18-12-16(6-7-19(18)24)29-22-17-11-14(3-2-10-28)5-8-20(17)26-21(27-22)15-4-1-9-25-13-15/h1,4-9,11-13,28H,2-3,10H2.
What are the key properties of 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol?
3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol has a molecular weight of 409.85 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol is sourced from PubChem (CID 71179843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).