7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one

C19H15NO — CID 82540945

IUPAC7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(-c3cnc4ccccc4c3)cc21
InChIInChI=1S/C19H15NO/c21-19-7-3-5-13-8-9-14(11-17(13)19)16-10-15-4-1-2-6-18(15)20-12-16/h1-2,4,6,8-12H,3,5,7H2
InChIKeyRYBJLIQJGFYYRW-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.42
Rot. Bonds1

About 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one

7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 82540945) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID82540945
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(-c3cnc4ccccc4c3)cc21
InChIInChI=1S/C19H15NO/c21-19-7-3-5-13-8-9-14(11-17(13)19)16-10-15-4-1-2-6-18(15)20-12-16/h1-2,4,6,8-12H,3,5,7H2
InChIKeyRYBJLIQJGFYYRW-UHFFFAOYSA-N
XLogP4.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
CID 91488150
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one
CID 143781214
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3,4-dihydro-2H-acridin-1-one;dihydrochloride
CID 142633980
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
CID 171056620
3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline
CID 23447714
7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 172877621
7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 163359622
5-phenyl-3,4-dihydro-2H-anthracen-1-one
CID 174638646

Frequently Asked Questions

What is the IUPAC name of 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one (CID 82540945) is 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(-c3cnc4ccccc4c3)cc21.
What is the InChIKey of 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RYBJLIQJGFYYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c21-19-7-3-5-13-8-9-14(11-17(13)19)16-10-15-4-1-2-6-18(15)20-12-16/h1-2,4,6,8-12H,3,5,7H2.
What are the key properties of 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 273.33 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 82540945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).