1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone

C19H17NO — CID 774058

IUPAC1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2ccc(C)cc2c1-c1ccccc1
InChIInChI=1S/C19H17NO/c1-12-9-10-17-16(11-12)19(15-7-5-4-6-8-15)18(14(3)21)13(2)20-17/h4-11H,1-3H3
InChIKeyWWMGIKVOVVVKRS-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.72
Rot. Bonds2

About 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone

1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone (PubChem CID 774058) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone
PubChem CID774058
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2ccc(C)cc2c1-c1ccccc1
InChIInChI=1S/C19H17NO/c1-12-9-10-17-16(11-12)19(15-7-5-4-6-8-15)18(14(3)21)13(2)20-17/h4-11H,1-3H3
InChIKeyWWMGIKVOVVVKRS-UHFFFAOYSA-N
XLogP4.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone (CID 774058) is 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone is CC(=O)c1c(C)nc2ccc(C)cc2c1-c1ccccc1.
What is the InChIKey of 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone?
The InChIKey is WWMGIKVOVVVKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-12-9-10-17-16(11-12)19(15-7-5-4-6-8-15)18(14(3)21)13(2)20-17/h4-11H,1-3H3.
What are the key properties of 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone?
1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-phenylquinolin-3-yl)ethanone is sourced from PubChem (CID 774058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).