1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one

C21H24N2O2 — CID 159184561

IUPAC1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CC(=O)N(C)c2ccccc21.CC1CC(=O)Nc2ccccc21
InChIInChI=1S/C11H13NO.C10H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10;1-7-6-10(12)11-9-5-3-2-4-8(7)9/h3-6,8H,7H2,1-2H3;2-5,7H,6H2,1H3,(H,11,12)
InChIKeyKNHYGKJPEJVAJN-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.29
Rot. Bonds

About 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one

1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 159184561) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID159184561
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CC(=O)N(C)c2ccccc21.CC1CC(=O)Nc2ccccc21
InChIInChI=1S/C11H13NO.C10H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10;1-7-6-10(12)11-9-5-3-2-4-8(7)9/h3-6,8H,7H2,1-2H3;2-5,7H,6H2,1H3,(H,11,12)
InChIKeyKNHYGKJPEJVAJN-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one (CID 159184561) is 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one is CC1CC(=O)N(C)c2ccccc21.CC1CC(=O)Nc2ccccc21.
What is the InChIKey of 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KNHYGKJPEJVAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C10H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10;1-7-6-10(12)11-9-5-3-2-4-8(7)9/h3-6,8H,7H2,1-2H3;2-5,7H,6H2,1H3,(H,11,12).
What are the key properties of 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one?
1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 336.44 g/mol, XLogP of 4.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 159184561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).