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

C20H32N4O3 — CID 112796880

IUPAC5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN2CCCC3CCCCC32)c(=O)n(C)c1=O
InChIInChI=1S/C20H32N4O3/c1-13(2)11-24-18(21)17(19(26)22(3)20(24)27)16(25)12-23-10-6-8-14-7-4-5-9-15(14)23/h13-15H,4-12,21H2,1-3H3
InChIKeyLVVIMASPRLTXEB-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.62
Rot. Bonds5

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

5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 112796880) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID112796880
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN2CCCC3CCCCC32)c(=O)n(C)c1=O
InChIInChI=1S/C20H32N4O3/c1-13(2)11-24-18(21)17(19(26)22(3)20(24)27)16(25)12-23-10-6-8-14-7-4-5-9-15(14)23/h13-15H,4-12,21H2,1-3H3
InChIKeyLVVIMASPRLTXEB-UHFFFAOYSA-N
XLogP1.62
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 112796880) is 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CN2CCCC3CCCCC32)c(=O)n(C)c1=O.
What is the InChIKey of 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is LVVIMASPRLTXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-13(2)11-24-18(21)17(19(26)22(3)20(24)27)16(25)12-23-10-6-8-14-7-4-5-9-15(14)23/h13-15H,4-12,21H2,1-3H3.
What are the key properties of 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 376.50 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112796880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).