1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone

C18H19NO — CID 6467071

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H19NO/c1-14-7-2-3-9-16(14)13-18(20)19-12-6-10-15-8-4-5-11-17(15)19/h2-5,7-9,11H,6,10,12-13H2,1H3
InChIKeyVDDOJEBABSSIKI-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.52
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 6467071) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID6467071
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H19NO/c1-14-7-2-3-9-16(14)13-18(20)19-12-6-10-15-8-4-5-11-17(15)19/h2-5,7-9,11H,6,10,12-13H2,1H3
InChIKeyVDDOJEBABSSIKI-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone (CID 6467071) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is VDDOJEBABSSIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-7-2-3-9-16(14)13-18(20)19-12-6-10-15-8-4-5-11-17(15)19/h2-5,7-9,11H,6,10,12-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 6467071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).