6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one

C18H25NO2 — CID 65023228

IUPAC6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)C3CCCCCCC3)ccc2N1
InChIInChI=1S/C18H25NO2/c20-17-11-9-14-12-15(8-10-16(14)19-17)18(21)13-6-4-2-1-3-5-7-13/h8,10,12-13,18,21H,1-7,9,11H2,(H,19,20)
InChIKeyNXXYAKKEQAAXPQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.97
Rot. Bonds2

About 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 65023228) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID65023228
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)C3CCCCCCC3)ccc2N1
InChIInChI=1S/C18H25NO2/c20-17-11-9-14-12-15(8-10-16(14)19-17)18(21)13-6-4-2-1-3-5-7-13/h8,10,12-13,18,21H,1-7,9,11H2,(H,19,20)
InChIKeyNXXYAKKEQAAXPQ-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
CID 82488767
7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61080673
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528
7-(2-cyclopentyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61083386
6-[cyclohexyl(hydroxy)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61081459
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103165412
6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
CID 63433506
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370

Frequently Asked Questions

What is the IUPAC name of 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 65023228) is 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)C3CCCCCCC3)ccc2N1.
What is the InChIKey of 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NXXYAKKEQAAXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17-11-9-14-12-15(8-10-16(14)19-17)18(21)13-6-4-2-1-3-5-7-13/h8,10,12-13,18,21H,1-7,9,11H2,(H,19,20).
What are the key properties of 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 65023228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).