bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

C19H32N2O — CID 66802344

IUPACbis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
SMILESO=C(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C19H32N2O/c22-19(20-13-5-9-15-7-1-3-11-17(15)20)21-14-6-10-16-8-2-4-12-18(16)21/h15-18H,1-14H2
InChIKeyMSBNOHZGPURHMX-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.42
Rot. Bonds

About bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone (PubChem CID 66802344) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
PubChem CID66802344
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
SMILESO=C(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C19H32N2O/c22-19(20-13-5-9-15-7-1-3-11-17(15)20)21-14-6-10-16-8-2-4-12-18(16)21/h15-18H,1-14H2
InChIKeyMSBNOHZGPURHMX-UHFFFAOYSA-N
XLogP4.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone (CID 66802344) is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone is O=C(N1CCCC2CCCCC21)N1CCCC2CCCCC21.
What is the InChIKey of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The InChIKey is MSBNOHZGPURHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c22-19(20-13-5-9-15-7-1-3-11-17(15)20)21-14-6-10-16-8-2-4-12-18(16)21/h15-18H,1-14H2.
What are the key properties of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone has a molecular weight of 304.48 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 66802344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).