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6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine

C24H20ClN7O3 — CID 157046929

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2cc1OC1CNC1
InChIInChI=1S/C24H20ClN7O3/c1-33-21-9-19-17(8-22(21)35-16-10-26-11-16)24(29-12-27-19)31-14-2-3-20(18(25)6-14)34-15-4-5-32-23(7-15)28-13-30-32/h2-9,12-13,16,26H,10-11H2,1H3,(H,27,29,31)
InChIKeyRKKJTPYCVITJFX-UHFFFAOYSA-N
MW489.92 g/mol
LogP4.22
Rot. Bonds7

About 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine

6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine (PubChem CID 157046929) has the molecular formula C24H20ClN7O3 and a molecular weight of 489.92 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine
PubChem CID157046929
Molecular FormulaC24H20ClN7O3
Molecular Weight489.92 g/mol
Exact Mass489.13
IUPAC Name6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2cc1OC1CNC1
InChIInChI=1S/C24H20ClN7O3/c1-33-21-9-19-17(8-22(21)35-16-10-26-11-16)24(29-12-27-19)31-14-2-3-20(18(25)6-14)34-15-4-5-32-23(7-15)28-13-30-32/h2-9,12-13,16,26H,10-11H2,1H3,(H,27,29,31)
InChIKeyRKKJTPYCVITJFX-UHFFFAOYSA-N
XLogP4.22
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine?
The IUPAC name of 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine (CID 157046929) is 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine.
What is the SMILES notation for 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine?
The canonical SMILES for 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2cc1OC1CNC1.
What is the InChIKey of 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine?
The InChIKey is RKKJTPYCVITJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O3/c1-33-21-9-19-17(8-22(21)35-16-10-26-11-16)24(29-12-27-19)31-14-2-3-20(18(25)6-14)34-15-4-5-32-23(7-15)28-13-30-32/h2-9,12-13,16,26H,10-11H2,1H3,(H,27,29,31).
What are the key properties of 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine?
6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine has a molecular weight of 489.92 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 157046929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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