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

C21H19NO — CID 1226597

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C21H19NO/c23-21(22-14-6-11-17-8-2-4-13-20(17)22)15-18-10-5-9-16-7-1-3-12-19(16)18/h1-5,7-10,12-13H,6,11,14-15H2
InChIKeyQTPVKZIUQHGFBA-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.36
Rot. Bonds2

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone (PubChem CID 1226597) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
PubChem CID1226597
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C21H19NO/c23-21(22-14-6-11-17-8-2-4-13-20(17)22)15-18-10-5-9-16-7-1-3-12-19(16)18/h1-5,7-10,12-13H,6,11,14-15H2
InChIKeyQTPVKZIUQHGFBA-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,3-benzodioxol-4-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110857070
N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223792
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 100699588
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 67553346
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 113211353
2-benzo[e][1]benzofuran-1-yl-1-(2,3-dihydroindol-1-yl)ethanone
CID 933045
1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone
CID 2106501
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 4794809
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone (CID 1226597) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone is O=C(Cc1cccc2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone?
The InChIKey is QTPVKZIUQHGFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c23-21(22-14-6-11-17-8-2-4-13-20(17)22)15-18-10-5-9-16-7-1-3-12-19(16)18/h1-5,7-10,12-13H,6,11,14-15H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone has a molecular weight of 301.39 g/mol, XLogP of 4.36, 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-naphthalen-1-ylethanone is sourced from PubChem (CID 1226597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).