1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol

C16H25NO4 — CID 106993181

IUPAC1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOCC(C)OCC(O)CN1CCC(O)c2ccccc21
InChIInChI=1S/C16H25NO4/c1-12(10-20-2)21-11-13(18)9-17-8-7-16(19)14-5-3-4-6-15(14)17/h3-6,12-13,16,18-19H,7-11H2,1-2H3
InChIKeyNBWODPYZQSJKJL-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.34
Rot. Bonds7

About 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol

1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 106993181) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID106993181
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOCC(C)OCC(O)CN1CCC(O)c2ccccc21
InChIInChI=1S/C16H25NO4/c1-12(10-20-2)21-11-13(18)9-17-8-7-16(19)14-5-3-4-6-15(14)17/h3-6,12-13,16,18-19H,7-11H2,1-2H3
InChIKeyNBWODPYZQSJKJL-UHFFFAOYSA-N
XLogP1.34
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337638
1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol
CID 106460181
1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991981
1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 106460180
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 114337618
1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337617
1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 106992074
1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337590
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol (CID 106993181) is 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol is COCC(C)OCC(O)CN1CCC(O)c2ccccc21.
What is the InChIKey of 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is NBWODPYZQSJKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(10-20-2)21-11-13(18)9-17-8-7-16(19)14-5-3-4-6-15(14)17/h3-6,12-13,16,18-19H,7-11H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 295.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 106993181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).