7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium

C14H17NO5Rf-2 — CID 177262297

IUPAC7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium
SMILES[CH2-]O.[CH2-]OCC(O)COc1ccc2ccc(=O)[nH]c2c1.[Rf]
InChIInChI=1S/C13H14NO4.CH3O.Rf/c1-17-7-10(15)8-18-11-4-2-9-3-5-13(16)14-12(9)6-11;1-2;/h2-6,10,15H,1,7-8H2,(H,14,16);2H,1H2;/q2*-1;
InChIKeyWHUNSNJEAMOPNT-UHFFFAOYSA-N
MW546.29 g/mol
LogP1.23
Rot. Bonds5

About 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium

7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium (PubChem CID 177262297) has the molecular formula C14H17NO5Rf-2 and a molecular weight of 546.29 g/mol. Its IUPAC name is 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium.

Molecular Properties

Compound Name7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium
PubChem CID177262297
Molecular FormulaC14H17NO5Rf-2
Molecular Weight546.29 g/mol
Exact Mass546.23
IUPAC Name7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium
SMILES[CH2-]O.[CH2-]OCC(O)COc1ccc2ccc(=O)[nH]c2c1.[Rf]
InChIInChI=1S/C13H14NO4.CH3O.Rf/c1-17-7-10(15)8-18-11-4-2-9-3-5-13(16)14-12(9)6-11;1-2;/h2-6,10,15H,1,7-8H2,(H,14,16);2H,1H2;/q2*-1;
InChIKeyWHUNSNJEAMOPNT-UHFFFAOYSA-N
XLogP1.23
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one
CID 177262317
7-ethoxy-1H-quinolin-2-one
CID 123474288
7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
CID 118707059
7-(5-methylhexoxy)-1H-quinolin-2-one
CID 137474488
1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;4-(2-hydroxy-3-methanidyloxypropoxy)-7-methoxy-1H-quinolin-2-one;rutherfordium
CID 177262319
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10316012
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 67250978
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 15831364
6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one
CID 15157779
6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one
CID 10019540
6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one
CID 15157871

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium?
The IUPAC name of 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium (CID 177262297) is 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium.
What is the SMILES notation for 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium?
The canonical SMILES for 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium is [CH2-]O.[CH2-]OCC(O)COc1ccc2ccc(=O)[nH]c2c1.[Rf].
What is the InChIKey of 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium?
The InChIKey is WHUNSNJEAMOPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO4.CH3O.Rf/c1-17-7-10(15)8-18-11-4-2-9-3-5-13(16)14-12(9)6-11;1-2;/h2-6,10,15H,1,7-8H2,(H,14,16);2H,1H2;/q2*-1;.
What are the key properties of 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium?
7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium has a molecular weight of 546.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium is sourced from PubChem (CID 177262297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).