3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one

C13H17NO2 — CID 79745653

IUPAC3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
SMILESCOCCC(=O)C1CCCc2cccnc21
InChIInChI=1S/C13H17NO2/c1-16-9-7-12(15)11-6-2-4-10-5-3-8-14-13(10)11/h3,5,8,11H,2,4,6-7,9H2,1H3
InChIKeyDVADSBFXLRYQQB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.11
Rot. Bonds4

About 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one

3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one (PubChem CID 79745653) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
PubChem CID79745653
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
SMILESCOCCC(=O)C1CCCc2cccnc21
InChIInChI=1S/C13H17NO2/c1-16-9-7-12(15)11-6-2-4-10-5-3-8-14-13(10)11/h3,5,8,11H,2,4,6-7,9H2,1H3
InChIKeyDVADSBFXLRYQQB-UHFFFAOYSA-N
XLogP2.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one with MolForge

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Related Compounds

4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
1-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(thian-4-yl)ethanone
CID 105114234
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116707061
2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745816
2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one
CID 105114181

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one (CID 79745653) is 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one is COCCC(=O)C1CCCc2cccnc21.
What is the InChIKey of 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
The InChIKey is DVADSBFXLRYQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-9-7-12(15)11-6-2-4-10-5-3-8-14-13(10)11/h3,5,8,11H,2,4,6-7,9H2,1H3.
What are the key properties of 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one is sourced from PubChem (CID 79745653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).