6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one

C14H19NO2 — CID 84627501

IUPAC6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)c1ccc2c(c1)C(CO)CC(=O)N2
InChIInChI=1S/C14H19NO2/c1-14(2,3)10-4-5-12-11(7-10)9(8-16)6-13(17)15-12/h4-5,7,9,16H,6,8H2,1-3H3,(H,15,17)
InChIKeyAIUZHLDKSHREPW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds1

About 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one

6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84627501) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID84627501
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)c1ccc2c(c1)C(CO)CC(=O)N2
InChIInChI=1S/C14H19NO2/c1-14(2,3)10-4-5-12-11(7-10)9(8-16)6-13(17)15-12/h4-5,7,9,16H,6,8H2,1-3H3,(H,15,17)
InChIKeyAIUZHLDKSHREPW-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
CID 82159947
5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one
CID 106987056
3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride
CID 75480418
5-tert-butyl-3-propyl-1,3-dihydroindol-2-one
CID 106986527
3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione
CID 82121676
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol
CID 22735329
4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 84620544
6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one
CID 23471549
6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84627180
[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol
CID 105454115
7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 82159158

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one (CID 84627501) is 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one is CC(C)(C)c1ccc2c(c1)C(CO)CC(=O)N2.
What is the InChIKey of 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AIUZHLDKSHREPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)10-4-5-12-11(7-10)9(8-16)6-13(17)15-12/h4-5,7,9,16H,6,8H2,1-3H3,(H,15,17).
What are the key properties of 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84627501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).