6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one

C20H25N3O2 — CID 121063621

IUPAC6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESCCCCc1cc(=O)n(CC(=O)N2CCCc3cc(C)ccc32)cn1
InChIInChI=1S/C20H25N3O2/c1-3-4-7-17-12-19(24)22(14-21-17)13-20(25)23-10-5-6-16-11-15(2)8-9-18(16)23/h8-9,11-12,14H,3-7,10,13H2,1-2H3
InChIKeyIRSRZPFMDMJIBG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.87
Rot. Bonds5

About 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one

6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 121063621) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one
PubChem CID121063621
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESCCCCc1cc(=O)n(CC(=O)N2CCCc3cc(C)ccc32)cn1
InChIInChI=1S/C20H25N3O2/c1-3-4-7-17-12-19(24)22(14-21-17)13-20(25)23-10-5-6-16-11-15(2)8-9-18(16)23/h8-9,11-12,14H,3-7,10,13H2,1-2H3
InChIKeyIRSRZPFMDMJIBG-UHFFFAOYSA-N
XLogP2.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one (CID 121063621) is 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one is CCCCc1cc(=O)n(CC(=O)N2CCCc3cc(C)ccc32)cn1.
What is the InChIKey of 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is IRSRZPFMDMJIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-4-7-17-12-19(24)22(14-21-17)13-20(25)23-10-5-6-16-11-15(2)8-9-18(16)23/h8-9,11-12,14H,3-7,10,13H2,1-2H3.
What are the key properties of 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one?
6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one has a molecular weight of 339.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 121063621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).