2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone

C17H19NO — CID 70632091

IUPAC2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCCC2CC=CC=C21)c1ccccc1
InChIInChI=1S/C17H19NO/c19-17(15-8-2-1-3-9-15)13-18-12-6-10-14-7-4-5-11-16(14)18/h1-5,8-9,11,14H,6-7,10,12-13H2
InChIKeyOILYXKKAFXVHJC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.43
Rot. Bonds3

About 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone

2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone (PubChem CID 70632091) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone
PubChem CID70632091
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCCC2CC=CC=C21)c1ccccc1
InChIInChI=1S/C17H19NO/c19-17(15-8-2-1-3-9-15)13-18-12-6-10-14-7-4-5-11-16(14)18/h1-5,8-9,11,14H,6-7,10,12-13H2
InChIKeyOILYXKKAFXVHJC-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone?
The IUPAC name of 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone (CID 70632091) is 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone is O=C(CN1CCCC2CC=CC=C21)c1ccccc1.
What is the InChIKey of 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone?
The InChIKey is OILYXKKAFXVHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(15-8-2-1-3-9-15)13-18-12-6-10-14-7-4-5-11-16(14)18/h1-5,8-9,11,14H,6-7,10,12-13H2.
What are the key properties of 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone?
2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone has a molecular weight of 253.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone is sourced from PubChem (CID 70632091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).