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

C11H13NO — CID 14873013

IUPAC1,4-dimethyl-3,4-dihydroquinolin-2-one
SMILESCC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C11H13NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-6,8H,7H2,1-2H3
InChIKeyXVCGHEUXKRIBOF-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.16
Rot. Bonds

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

1,4-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 14873013) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,4-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID14873013
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1,4-dimethyl-3,4-dihydroquinolin-2-one
SMILESCC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C11H13NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-6,8H,7H2,1-2H3
InChIKeyXVCGHEUXKRIBOF-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1,4-dimethyl-3,4-dihydroquinolin-2-one (CID 14873013) is 1,4-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1,4-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1,4-dimethyl-3,4-dihydroquinolin-2-one is CC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 1,4-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is XVCGHEUXKRIBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-6,8H,7H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,4-dihydroquinolin-2-one?
1,4-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14873013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).