3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone

C22H26N2O — CID 58210713

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCCC4CCCCC43)n2)cc1
InChIInChI=1S/C22H26N2O/c1-16-11-13-17(14-12-16)19-8-4-9-20(23-19)22(25)24-15-5-7-18-6-2-3-10-21(18)24/h4,8-9,11-14,18,21H,2-3,5-7,10,15H2,1H3
InChIKeyLIOXEWCYJOPNEI-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.85
Rot. Bonds2

About 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone (PubChem CID 58210713) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone
PubChem CID58210713
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCCC4CCCCC43)n2)cc1
InChIInChI=1S/C22H26N2O/c1-16-11-13-17(14-12-16)19-8-4-9-20(23-19)22(25)24-15-5-7-18-6-2-3-10-21(18)24/h4,8-9,11-14,18,21H,2-3,5-7,10,15H2,1H3
InChIKeyLIOXEWCYJOPNEI-UHFFFAOYSA-N
XLogP4.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone (CID 58210713) is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone is Cc1ccc(-c2cccc(C(=O)N3CCCC4CCCCC43)n2)cc1.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone?
The InChIKey is LIOXEWCYJOPNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16-11-13-17(14-12-16)19-8-4-9-20(23-19)22(25)24-15-5-7-18-6-2-3-10-21(18)24/h4,8-9,11-14,18,21H,2-3,5-7,10,15H2,1H3.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone?
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone has a molecular weight of 334.46 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 58210713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).