6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

C19H24N4O3 — CID 51284663

IUPAC6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN2CCCc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-12(2)10-23-17(20)16(18(25)21-19(23)26)15(24)11-22-9-5-7-13-6-3-4-8-14(13)22/h3-4,6,8,12H,5,7,9-11,20H2,1-2H3,(H,21,25,26)
InChIKeyIYWBOBQLHLZNJK-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.41
Rot. Bonds5

About 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 51284663) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID51284663
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN2CCCc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-12(2)10-23-17(20)16(18(25)21-19(23)26)15(24)11-22-9-5-7-13-6-3-4-8-14(13)22/h3-4,6,8,12H,5,7,9-11,20H2,1-2H3,(H,21,25,26)
InChIKeyIYWBOBQLHLZNJK-UHFFFAOYSA-N
XLogP1.41
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 51284663) is 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CN2CCCc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is IYWBOBQLHLZNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)10-23-17(20)16(18(25)21-19(23)26)15(24)11-22-9-5-7-13-6-3-4-8-14(13)22/h3-4,6,8,12H,5,7,9-11,20H2,1-2H3,(H,21,25,26).
What are the key properties of 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 51284663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).