7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one

C20H16N2O3 — CID 69016863

IUPAC7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
SMILESNc1ccc(Oc2ccc3c(c2)OC(c2ccccc2)CC3=O)nc1
InChIInChI=1S/C20H16N2O3/c21-14-6-9-20(22-12-14)24-15-7-8-16-17(23)11-18(25-19(16)10-15)13-4-2-1-3-5-13/h1-10,12,18H,11,21H2
InChIKeyJKKVJDJMMJRROD-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.16
Rot. Bonds3

About 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one

7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 69016863) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID69016863
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
SMILESNc1ccc(Oc2ccc3c(c2)OC(c2ccccc2)CC3=O)nc1
InChIInChI=1S/C20H16N2O3/c21-14-6-9-20(22-12-14)24-15-7-8-16-17(23)11-18(25-19(16)10-15)13-4-2-1-3-5-13/h1-10,12,18H,11,21H2
InChIKeyJKKVJDJMMJRROD-UHFFFAOYSA-N
XLogP4.16
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one (CID 69016863) is 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one is Nc1ccc(Oc2ccc3c(c2)OC(c2ccccc2)CC3=O)nc1.
What is the InChIKey of 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is JKKVJDJMMJRROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c21-14-6-9-20(22-12-14)24-15-7-8-16-17(23)11-18(25-19(16)10-15)13-4-2-1-3-5-13/h1-10,12,18H,11,21H2.
What are the key properties of 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one?
7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 332.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 69016863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).