1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea

C20H13ClFN5O2 — CID 2814119

IUPAC1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1
InChIInChI=1S/C20H13ClFN5O2/c21-12-1-7-16-17(9-12)24-11-25-19(16)29-18-8-6-15(10-23-18)27-20(28)26-14-4-2-13(22)3-5-14/h1-11H,(H2,26,27,28)
InChIKeyMAMANNFYDVVKIW-UHFFFAOYSA-N
MW409.81 g/mol
LogP5.25
Rot. Bonds4

About 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea

1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea (PubChem CID 2814119) has the molecular formula C20H13ClFN5O2 and a molecular weight of 409.81 g/mol. Its IUPAC name is 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea
PubChem CID2814119
Molecular FormulaC20H13ClFN5O2
Molecular Weight409.81 g/mol
Exact Mass409.07
IUPAC Name1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1
InChIInChI=1S/C20H13ClFN5O2/c21-12-1-7-16-17(9-12)24-11-25-19(16)29-18-8-6-15(10-23-18)27-20(28)26-14-4-2-13(22)3-5-14/h1-11H,(H2,26,27,28)
InChIKeyMAMANNFYDVVKIW-UHFFFAOYSA-N
XLogP5.25
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.81
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea (CID 2814119) is 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1.
What is the InChIKey of 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea?
The InChIKey is MAMANNFYDVVKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN5O2/c21-12-1-7-16-17(9-12)24-11-25-19(16)29-18-8-6-15(10-23-18)27-20(28)26-14-4-2-13(22)3-5-14/h1-11H,(H2,26,27,28).
What are the key properties of 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea?
1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea has a molecular weight of 409.81 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 2814119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).