8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one

C14H20N2O3 — CID 118707279

IUPAC8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCCCCCNO)c2N1
InChIInChI=1S/C14H20N2O3/c17-13-8-7-11-5-4-6-12(14(11)16-13)19-10-3-1-2-9-15-18/h4-6,15,18H,1-3,7-10H2,(H,16,17)
InChIKeyQWJCWILTFJIAIX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.10
Rot. Bonds7

About 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one

8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118707279) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID118707279
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCCCCCNO)c2N1
InChIInChI=1S/C14H20N2O3/c17-13-8-7-11-5-4-6-12(14(11)16-13)19-10-3-1-2-9-15-18/h4-6,15,18H,1-3,7-10H2,(H,16,17)
InChIKeyQWJCWILTFJIAIX-UHFFFAOYSA-N
XLogP2.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one (CID 118707279) is 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cccc(OCCCCCNO)c2N1.
What is the InChIKey of 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QWJCWILTFJIAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13-8-7-11-5-4-6-12(14(11)16-13)19-10-3-1-2-9-15-18/h4-6,15,18H,1-3,7-10H2,(H,16,17).
What are the key properties of 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one?
8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(hydroxyamino)pentoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118707279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).