6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one

C14H13N3O2 — CID 16793074

IUPAC6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc(Oc2ccc3c(c2)CCC(=O)N3)nc1
InChIInChI=1S/C14H13N3O2/c15-10-2-6-14(16-8-10)19-11-3-4-12-9(7-11)1-5-13(18)17-12/h2-4,6-8H,1,5,15H2,(H,17,18)
InChIKeyIOOZVIRWZPLHBI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.34
Rot. Bonds2

About 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one

6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 16793074) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID16793074
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc(Oc2ccc3c(c2)CCC(=O)N3)nc1
InChIInChI=1S/C14H13N3O2/c15-10-2-6-14(16-8-10)19-11-3-4-12-9(7-11)1-5-13(18)17-12/h2-4,6-8H,1,5,15H2,(H,17,18)
InChIKeyIOOZVIRWZPLHBI-UHFFFAOYSA-N
XLogP2.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one (CID 16793074) is 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one is Nc1ccc(Oc2ccc3c(c2)CCC(=O)N3)nc1.
What is the InChIKey of 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IOOZVIRWZPLHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-10-2-6-14(16-8-10)19-11-3-4-12-9(7-11)1-5-13(18)17-12/h2-4,6-8H,1,5,15H2,(H,17,18).
What are the key properties of 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one?
6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 255.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 16793074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).