(4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one

C12H15NO2 — CID 102319529

IUPAC(4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(C)cc2c1NC(=O)C[C@@H]2C
InChIInChI=1S/C12H15NO2/c1-7-4-9-8(2)6-11(14)13-12(9)10(5-7)15-3/h4-5,8H,6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyBVRIFCLQQLFNGC-QMMMGPOBSA-N
MW205.26 g/mol
LogP2.45
Rot. Bonds1

About (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one

(4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 102319529) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID102319529
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(C)cc2c1NC(=O)C[C@@H]2C
InChIInChI=1S/C12H15NO2/c1-7-4-9-8(2)6-11(14)13-12(9)10(5-7)15-3/h4-5,8H,6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyBVRIFCLQQLFNGC-QMMMGPOBSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84620678
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 605781
(3S)-5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 18445644
4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 6462296
4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 82159726
4-(2-methoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 2971969
7,8-dimethoxy-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231747
5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82396585
(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 129406280
2-[(2S)-aziridin-2-yl]-6-methoxy-4-methylphenol
CID 55262437
5-methoxy-6,7-dimethyl-1,3-dihydroindol-2-one
CID 22238086

Frequently Asked Questions

What is the IUPAC name of (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 102319529) is (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one is COc1cc(C)cc2c1NC(=O)C[C@@H]2C.
What is the InChIKey of (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BVRIFCLQQLFNGC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-9-8(2)6-11(14)13-12(9)10(5-7)15-3/h4-5,8H,6H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one?
(4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-methoxy-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 102319529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).