6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one

C11H13NO — CID 82276023

IUPAC6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one
SMILESCc1cc2c(cc1C)C(=O)CCN2
InChIInChI=1S/C11H13NO/c1-7-5-9-10(6-8(7)2)12-4-3-11(9)13/h5-6,12H,3-4H2,1-2H3
InChIKeyIIKZJAUTNOSEAE-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.30
Rot. Bonds

About 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one

6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 82276023) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID82276023
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one
SMILESCc1cc2c(cc1C)C(=O)CCN2
InChIInChI=1S/C11H13NO/c1-7-5-9-10(6-8(7)2)12-4-3-11(9)13/h5-6,12H,3-4H2,1-2H3
InChIKeyIIKZJAUTNOSEAE-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one (CID 82276023) is 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one is Cc1cc2c(cc1C)C(=O)CCN2.
What is the InChIKey of 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is IIKZJAUTNOSEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-5-9-10(6-8(7)2)12-4-3-11(9)13/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one?
6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 175.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 82276023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).