7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one

C18H25NO2 — CID 137474361

IUPAC7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one
SMILESCC(CC(C)C(C)(C)C)Oc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C18H25NO2/c1-12(18(3,4)5)10-13(2)21-15-8-6-14-7-9-17(20)19-16(14)11-15/h6-9,11-13H,10H2,1-5H3,(H,19,20)
InChIKeyHVSQHRHHEUGOER-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.37
Rot. Bonds4

About 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one

7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one (PubChem CID 137474361) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one
PubChem CID137474361
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one
SMILESCC(CC(C)C(C)(C)C)Oc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C18H25NO2/c1-12(18(3,4)5)10-13(2)21-15-8-6-14-7-9-17(20)19-16(14)11-15/h6-9,11-13H,10H2,1-5H3,(H,19,20)
InChIKeyHVSQHRHHEUGOER-UHFFFAOYSA-N
XLogP4.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one?
The IUPAC name of 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one (CID 137474361) is 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one.
What is the SMILES notation for 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one?
The canonical SMILES for 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one is CC(CC(C)C(C)(C)C)Oc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one?
The InChIKey is HVSQHRHHEUGOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12(18(3,4)5)10-13(2)21-15-8-6-14-7-9-17(20)19-16(14)11-15/h6-9,11-13H,10H2,1-5H3,(H,19,20).
What are the key properties of 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one?
7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one has a molecular weight of 287.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one is sourced from PubChem (CID 137474361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).