6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

C14H21N3O2 — CID 3877589

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC3CCCCC32)[nH]c1=O
InChIInChI=1S/C14H21N3O2/c1-16-13(18)9-12(15-14(16)19)17-8-4-6-10-5-2-3-7-11(10)17/h9-11H,2-8H2,1H3,(H,15,19)
InChIKeyXSUGNINQKAQGBT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds1

About 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 3877589) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID3877589
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC3CCCCC32)[nH]c1=O
InChIInChI=1S/C14H21N3O2/c1-16-13(18)9-12(15-14(16)19)17-8-4-6-10-5-2-3-7-11(10)17/h9-11H,2-8H2,1H3,(H,15,19)
InChIKeyXSUGNINQKAQGBT-UHFFFAOYSA-N
XLogP1.23
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 3877589) is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCCC3CCCCC32)[nH]c1=O.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XSUGNINQKAQGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-13(18)9-12(15-14(16)19)17-8-4-6-10-5-2-3-7-11(10)17/h9-11H,2-8H2,1H3,(H,15,19).
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 263.34 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3877589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).