7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one

C16H21NO6 — CID 177262317

IUPAC7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one
SMILESCOCC(O)COCC(O)COc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C16H21NO6/c1-21-7-12(18)8-22-9-13(19)10-23-14-4-2-11-3-5-16(20)17-15(11)6-14/h2-6,12-13,18-19H,7-10H2,1H3,(H,17,20)
InChIKeyNEELQUBMJZRYNC-UHFFFAOYSA-N
MW323.34 g/mol
LogP0.29
Rot. Bonds9

About 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one

7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one (PubChem CID 177262317) has the molecular formula C16H21NO6 and a molecular weight of 323.34 g/mol. Its IUPAC name is 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one
PubChem CID177262317
Molecular FormulaC16H21NO6
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one
SMILESCOCC(O)COCC(O)COc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C16H21NO6/c1-21-7-12(18)8-22-9-13(19)10-23-14-4-2-11-3-5-16(20)17-15(11)6-14/h2-6,12-13,18-19H,7-10H2,1H3,(H,17,20)
InChIKeyNEELQUBMJZRYNC-UHFFFAOYSA-N
XLogP0.29
TPSA101.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium
CID 177262297
7-ethoxy-1H-quinolin-2-one
CID 123474288
7-(5-methylhexoxy)-1H-quinolin-2-one
CID 137474488
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 15831364
7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
CID 118707059
6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10316012
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one
CID 15157779
1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;4-(2-hydroxy-3-methanidyloxypropoxy)-7-methoxy-1H-quinolin-2-one;rutherfordium
CID 177262319
6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one
CID 15157871
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one (CID 177262317) is 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one is COCC(O)COCC(O)COc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one?
The InChIKey is NEELQUBMJZRYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c1-21-7-12(18)8-22-9-13(19)10-23-14-4-2-11-3-5-16(20)17-15(11)6-14/h2-6,12-13,18-19H,7-10H2,1H3,(H,17,20).
What are the key properties of 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one?
7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one has a molecular weight of 323.34 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one is sourced from PubChem (CID 177262317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).