1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one

C18H20N4O — CID 99946876

IUPAC1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one
SMILESC[C@@H](c1ccncn1)N(C)Cc1cc2ccccc2n(C)c1=O
InChIInChI=1S/C18H20N4O/c1-13(16-8-9-19-12-20-16)21(2)11-15-10-14-6-4-5-7-17(14)22(3)18(15)23/h4-10,12-13H,11H2,1-3H3/t13-/m0/s1
InChIKeyISKXLFYBMBQQIG-ZDUSSCGKSA-N
MW308.38 g/mol
LogP2.52
Rot. Bonds4

About 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one

1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one (PubChem CID 99946876) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one
PubChem CID99946876
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one
SMILESC[C@@H](c1ccncn1)N(C)Cc1cc2ccccc2n(C)c1=O
InChIInChI=1S/C18H20N4O/c1-13(16-8-9-19-12-20-16)21(2)11-15-10-14-6-4-5-7-17(14)22(3)18(15)23/h4-10,12-13H,11H2,1-3H3/t13-/m0/s1
InChIKeyISKXLFYBMBQQIG-ZDUSSCGKSA-N
XLogP2.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one with MolForge

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Related Compounds

(1R)-N-methyl-N-[(1-methylindol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 95133375
N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 77079818
N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 70729446
(1S)-N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42095542
(1S)-N-methyl-N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-1-pyrimidin-4-ylethanamine
CID 99930677
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one
CID 101403240
N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 91830976
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
(1R)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99930753
(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine
CID 124753171
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45182675
(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine
CID 99950845

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one (CID 99946876) is 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one is C[C@@H](c1ccncn1)N(C)Cc1cc2ccccc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one?
The InChIKey is ISKXLFYBMBQQIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(16-8-9-19-12-20-16)21(2)11-15-10-14-6-4-5-7-17(14)22(3)18(15)23/h4-10,12-13H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one?
1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one is sourced from PubChem (CID 99946876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).