7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one

C12H15NO2 — CID 118224749

IUPAC7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)NC(=O)C(C)(C)C2
InChIInChI=1S/C12H15NO2/c1-12(2)7-8-4-5-9(15-3)6-10(8)13-11(12)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyYRGMYORZKFPBOU-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.22
Rot. Bonds1

About 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one

7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one (PubChem CID 118224749) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one
PubChem CID118224749
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)NC(=O)C(C)(C)C2
InChIInChI=1S/C12H15NO2/c1-12(2)7-8-4-5-9(15-3)6-10(8)13-11(12)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyYRGMYORZKFPBOU-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The IUPAC name of 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one (CID 118224749) is 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The canonical SMILES for 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one is COc1ccc2c(c1)NC(=O)C(C)(C)C2.
What is the InChIKey of 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The InChIKey is YRGMYORZKFPBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)7-8-4-5-9(15-3)6-10(8)13-11(12)14/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one?
7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,3-dimethyl-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 118224749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).