6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one

C18H20N4O — CID 135103590

IUPAC6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN(C)C(C)c3ccncn3)cc(=O)c2c1
InChIInChI=1S/C18H20N4O/c1-12-4-5-17-15(8-12)18(23)9-14(21-17)10-22(3)13(2)16-6-7-19-11-20-16/h4-9,11,13H,10H2,1-3H3,(H,21,23)
InChIKeyPJAKTKXSJVYYAN-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.82
Rot. Bonds4

About 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one

6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one (PubChem CID 135103590) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one
PubChem CID135103590
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN(C)C(C)c3ccncn3)cc(=O)c2c1
InChIInChI=1S/C18H20N4O/c1-12-4-5-17-15(8-12)18(23)9-14(21-17)10-22(3)13(2)16-6-7-19-11-20-16/h4-9,11,13H,10H2,1-3H3,(H,21,23)
InChIKeyPJAKTKXSJVYYAN-UHFFFAOYSA-N
XLogP2.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one
CID 97152784
2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 72882917
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351
2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931387
2-[[ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931380
N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 77079818
ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one
CID 145241790
(2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide
CID 72887662
3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one
CID 124906978
N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide
CID 124751056
(1S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99927767
N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
CID 46992793

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one (CID 135103590) is 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(CN(C)C(C)c3ccncn3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one?
The InChIKey is PJAKTKXSJVYYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-4-5-17-15(8-12)18(23)9-14(21-17)10-22(3)13(2)16-6-7-19-11-20-16/h4-9,11,13H,10H2,1-3H3,(H,21,23).
What are the key properties of 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one?
6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one has a molecular weight of 308.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 135103590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).