6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one

C18H25NO2 — CID 63106320

IUPAC6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)C3CCCCCC3)ccc21
InChIInChI=1S/C18H25NO2/c1-19-16-10-8-15(12-14(16)9-11-17(19)20)18(21)13-6-4-2-3-5-7-13/h8,10,12-13,18,21H,2-7,9,11H2,1H3
InChIKeyZFTOXLNJOJLPAH-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.60
Rot. Bonds2

About 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63106320) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63106320
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)C3CCCCCC3)ccc21
InChIInChI=1S/C18H25NO2/c1-19-16-10-8-15(12-14(16)9-11-17(19)20)18(21)13-6-4-2-3-5-7-13/h8,10,12-13,18,21H,2-7,9,11H2,1H3
InChIKeyZFTOXLNJOJLPAH-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104653
6-(2-cyclopropyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107261
6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 83148581
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106693
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106866
6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785

Frequently Asked Questions

What is the IUPAC name of 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 63106320) is 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(O)C3CCCCCC3)ccc21.
What is the InChIKey of 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZFTOXLNJOJLPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-19-16-10-8-15(12-14(16)9-11-17(19)20)18(21)13-6-4-2-3-5-7-13/h8,10,12-13,18,21H,2-7,9,11H2,1H3.
What are the key properties of 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 287.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63106320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).