7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol

C15H22N2O — CID 2835209

IUPAC7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol
SMILESCC1=CC(C)(C)Nc2cc(CN(C)C)c(O)cc21
InChIInChI=1S/C15H22N2O/c1-10-8-15(2,3)16-13-6-11(9-17(4)5)14(18)7-12(10)13/h6-8,16,18H,9H2,1-5H3
InChIKeyHHMUJCRASAIBQC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.06
Rot. Bonds2

About 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol

7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol (PubChem CID 2835209) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol.

Molecular Properties

Compound Name7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol
PubChem CID2835209
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol
SMILESCC1=CC(C)(C)Nc2cc(CN(C)C)c(O)cc21
InChIInChI=1S/C15H22N2O/c1-10-8-15(2,3)16-13-6-11(9-17(4)5)14(18)7-12(10)13/h6-8,16,18H,9H2,1-5H3
InChIKeyHHMUJCRASAIBQC-UHFFFAOYSA-N
XLogP3.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone
CID 58214332
6-(4-fluorophenyl)-2,2,4-trimethyl-1H-quinoline
CID 23433471
2-tert-butyl-4-methoxyphenol;6-ethoxy-2,2,4-trimethyl-1H-quinoline
CID 174821422
2,2,4-trimethyl-6-(1,1,2,2,2-pentadeuterioethoxy)-1H-quinoline;hydrochloride
CID 167531367
6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol
CID 12032543
(E)-3-(3,4-dimethoxyphenyl)-1-[7-[(dimethylamino)methyl]-6-hydroxy-2,2,4-trimethylquinolin-1-yl]prop-2-en-1-one
CID 66492640
2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline
CID 23433463
8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline
CID 15458734
N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide
CID 68619908
2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline
CID 155369899
N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide
CID 59375216
2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol
CID 15906156

Frequently Asked Questions

What is the IUPAC name of 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol?
The IUPAC name of 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol (CID 2835209) is 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol.
What is the SMILES notation for 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol?
The canonical SMILES for 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol is CC1=CC(C)(C)Nc2cc(CN(C)C)c(O)cc21.
What is the InChIKey of 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol?
The InChIKey is HHMUJCRASAIBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-8-15(2,3)16-13-6-11(9-17(4)5)14(18)7-12(10)13/h6-8,16,18H,9H2,1-5H3.
What are the key properties of 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol?
7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol has a molecular weight of 246.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol is sourced from PubChem (CID 2835209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).