3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone

C20H17NO — CID 593315

IUPAC3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C20H17NO/c22-20(18-12-5-9-15-7-1-3-11-17(15)18)21-14-6-10-16-8-2-4-13-19(16)21/h1-5,7-9,11-13H,6,10,14H2
InChIKeyHLLUMOOPZUATEZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.43
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone

3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone (PubChem CID 593315) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone
PubChem CID593315
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C20H17NO/c22-20(18-12-5-9-15-7-1-3-11-17(15)18)21-14-6-10-16-8-2-4-13-19(16)21/h1-5,7-9,11-13H,6,10,14H2
InChIKeyHLLUMOOPZUATEZ-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone (CID 593315) is 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone is O=C(c1cccc2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone?
The InChIKey is HLLUMOOPZUATEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c22-20(18-12-5-9-15-7-1-3-11-17(15)18)21-14-6-10-16-8-2-4-13-19(16)21/h1-5,7-9,11-13H,6,10,14H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone is sourced from PubChem (CID 593315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).