2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone

C16H16N2O — CID 79746027

IUPAC2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
SMILESO=C(Cc1ccncc1)C1CCCc2cccnc21
InChIInChI=1S/C16H16N2O/c19-15(11-12-6-9-17-10-7-12)14-5-1-3-13-4-2-8-18-16(13)14/h2,4,6-10,14H,1,3,5,11H2
InChIKeyCIGNFYKVWXHEAN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.71
Rot. Bonds3

About 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone

2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone (PubChem CID 79746027) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone.

Molecular Properties

Compound Name2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
PubChem CID79746027
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
SMILESO=C(Cc1ccncc1)C1CCCc2cccnc21
InChIInChI=1S/C16H16N2O/c19-15(11-12-6-9-17-10-7-12)14-5-1-3-13-4-2-8-18-16(13)14/h2,4,6-10,14H,1,3,5,11H2
InChIKeyCIGNFYKVWXHEAN-UHFFFAOYSA-N
XLogP2.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
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
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
1-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(thian-4-yl)ethanone
CID 105114234
2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745816
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 116603381
1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one
CID 105114181
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The IUPAC name of 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone (CID 79746027) is 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone.
What is the SMILES notation for 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The canonical SMILES for 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone is O=C(Cc1ccncc1)C1CCCc2cccnc21.
What is the InChIKey of 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The InChIKey is CIGNFYKVWXHEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-15(11-12-6-9-17-10-7-12)14-5-1-3-13-4-2-8-18-16(13)14/h2,4,6-10,14H,1,3,5,11H2.
What are the key properties of 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone has a molecular weight of 252.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone is sourced from PubChem (CID 79746027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).