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

C16H17N3O2 — CID 80865656

IUPAC6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNc1cccc(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C16H17N3O2/c1-2-17-14-4-3-5-16(19-14)21-12-7-8-13-11(10-12)6-9-15(20)18-13/h3-5,7-8,10H,2,6,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHNYTXGVSDNCMAH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.19
Rot. Bonds4

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

6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 80865656) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID80865656
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNc1cccc(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C16H17N3O2/c1-2-17-14-4-3-5-16(19-14)21-12-7-8-13-11(10-12)6-9-15(20)18-13/h3-5,7-8,10H,2,6,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHNYTXGVSDNCMAH-UHFFFAOYSA-N
XLogP3.19
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one (CID 80865656) is 6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one is CCNc1cccc(Oc2ccc3c(c2)CCC(=O)N3)n1.
What is the InChIKey of 6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HNYTXGVSDNCMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-17-14-4-3-5-16(19-14)21-12-7-8-13-11(10-12)6-9-15(20)18-13/h3-5,7-8,10H,2,6,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one?
6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(ethylamino)-2-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 80865656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).