1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione

C19H20N2O4 — CID 158985413

IUPAC1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione
SMILESO=C1C=CN(c2cnc3ccc(OCCCCCO)cc3c2)C(=O)C1
InChIInChI=1S/C19H20N2O4/c22-8-2-1-3-9-25-17-4-5-18-14(11-17)10-15(13-20-18)21-7-6-16(23)12-19(21)24/h4-7,10-11,13,22H,1-3,8-9,12H2
InChIKeyZKCKZROPXUTFSX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.60
Rot. Bonds7

About 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione

1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione (PubChem CID 158985413) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione.

Molecular Properties

Compound Name1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione
PubChem CID158985413
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione
SMILESO=C1C=CN(c2cnc3ccc(OCCCCCO)cc3c2)C(=O)C1
InChIInChI=1S/C19H20N2O4/c22-8-2-1-3-9-25-17-4-5-18-14(11-17)10-15(13-20-18)21-7-6-16(23)12-19(21)24/h4-7,10-11,13,22H,1-3,8-9,12H2
InChIKeyZKCKZROPXUTFSX-UHFFFAOYSA-N
XLogP2.60
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
5-[3-(2,4-dioxopyrimidin-1-yl)quinolin-6-yl]oxypentanal
CID 135261925
7-(4-hydroxybutoxy)-1H-naphthalen-2-one;4-[(7-oxo-8H-naphthalen-2-yl)oxy]butanal
CID 160655191
azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol
CID 175067623
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
7-(5-hydroxypentoxy)naphthalen-2-ol
CID 62229734
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde
CID 91183651
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione?
The IUPAC name of 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione (CID 158985413) is 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione.
What is the SMILES notation for 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione?
The canonical SMILES for 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione is O=C1C=CN(c2cnc3ccc(OCCCCCO)cc3c2)C(=O)C1.
What is the InChIKey of 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione?
The InChIKey is ZKCKZROPXUTFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-8-2-1-3-9-25-17-4-5-18-14(11-17)10-15(13-20-18)21-7-6-16(23)12-19(21)24/h4-7,10-11,13,22H,1-3,8-9,12H2.
What are the key properties of 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione?
1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-hydroxypentoxy)quinolin-3-yl]pyridine-2,4-dione is sourced from PubChem (CID 158985413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).