3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C11H15NO — CID 164582769

IUPAC3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1c[nH]c2c(c1=O)C(C)CCC2
InChIInChI=1S/C11H15NO/c1-7-4-3-5-9-10(7)11(13)8(2)6-12-9/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyVDQKPPBRGFUNNF-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.12
Rot. Bonds

About 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 164582769) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID164582769
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1c[nH]c2c(c1=O)C(C)CCC2
InChIInChI=1S/C11H15NO/c1-7-4-3-5-9-10(7)11(13)8(2)6-12-9/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyVDQKPPBRGFUNNF-UHFFFAOYSA-N
XLogP2.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 164582769) is 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1c[nH]c2c(c1=O)C(C)CCC2.
What is the InChIKey of 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is VDQKPPBRGFUNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-4-3-5-9-10(7)11(13)8(2)6-12-9/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 177.25 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 164582769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).