8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one

C21H26N2O5 — CID 145256308

IUPAC8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESC.COCOc1cccc2c1NC(=O)CC2.O=C1CCc2cccc(O)c2N1
InChIInChI=1S/C11H13NO3.C9H9NO2.CH4/c1-14-7-15-9-4-2-3-8-5-6-10(13)12-11(8)9;11-7-3-1-2-6-4-5-8(12)10-9(6)7;/h2-4H,5-7H2,1H3,(H,12,13);1-3,11H,4-5H2,(H,10,12);1H4
InChIKeyIBPSLHQTAZTQDK-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.47
Rot. Bonds3

About 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one

8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 145256308) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID145256308
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESC.COCOc1cccc2c1NC(=O)CC2.O=C1CCc2cccc(O)c2N1
InChIInChI=1S/C11H13NO3.C9H9NO2.CH4/c1-14-7-15-9-4-2-3-8-5-6-10(13)12-11(8)9;11-7-3-1-2-6-4-5-8(12)10-9(6)7;/h2-4H,5-7H2,1H3,(H,12,13);1-3,11H,4-5H2,(H,10,12);1H4
InChIKeyIBPSLHQTAZTQDK-UHFFFAOYSA-N
XLogP3.47
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20540658
8-(methoxymethoxy)-3,4-dihydro-1H-naphthalen-2-one
CID 158378685
3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetyl]amino]-N-propan-2-ylpropanamide
CID 100829038
N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide
CID 100829026
8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20555988
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide
CID 100829037
(1S)-7-(methoxymethoxy)-2,3-dihydro-1H-inden-1-ol
CID 130651927
8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 57115682
8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 139588703
2-bromobenzene-1,3-diol;2-bromo-1,3-bis(methoxymethoxy)benzene;methane
CID 161492235
2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol
CID 147825187
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 145256308) is 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one is C.COCOc1cccc2c1NC(=O)CC2.O=C1CCc2cccc(O)c2N1.
What is the InChIKey of 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IBPSLHQTAZTQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3.C9H9NO2.CH4/c1-14-7-15-9-4-2-3-8-5-6-10(13)12-11(8)9;11-7-3-1-2-6-4-5-8(12)10-9(6)7;/h2-4H,5-7H2,1H3,(H,12,13);1-3,11H,4-5H2,(H,10,12);1H4.
What are the key properties of 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one?
8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 386.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3,4-dihydro-1H-quinolin-2-one;methane;8-(methoxymethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 145256308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).