1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

C17H24N4O2 — CID 118740884

IUPAC1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCc1cnn(C)c1)CC2
InChIInChI=1S/C17H24N4O2/c1-20-12-13(11-19-20)10-18-15-4-5-16-14(9-15)3-6-17(22)21(16)7-8-23-2/h3,6,11-12,15,18H,4-5,7-10H2,1-2H3
InChIKeyRAPAFUUKNOWDCG-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.88
Rot. Bonds6

About 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118740884) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118740884
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCc1cnn(C)c1)CC2
InChIInChI=1S/C17H24N4O2/c1-20-12-13(11-19-20)10-18-15-4-5-16-14(9-15)3-6-17(22)21(16)7-8-23-2/h3,6,11-12,15,18H,4-5,7-10H2,1-2H3
InChIKeyRAPAFUUKNOWDCG-UHFFFAOYSA-N
XLogP0.88
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 53566944
1-Ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118740886
1-Methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118740889
1-[2-(Dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118746635
2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 91920307
N-cyclohexyl-2-hydroxy-5,6-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]nicotinamide
CID 70768065
1-[2-(Dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 118746634
1-[[1-(2-Fluoroethyl)pyrazol-4-yl]methyl]-3-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)urea
CID 138019643
1-(Cyclopropylmethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155862722
1-Methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 171673166
1-[2-Oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea
CID 131651749
6-(Propan-2-ylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 131656607

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 118740884) is 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is COCCn1c2c(ccc1=O)CC(NCc1cnn(C)c1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is RAPAFUUKNOWDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20-12-13(11-19-20)10-18-15-4-5-16-14(9-15)3-6-17(22)21(16)7-8-23-2/h3,6,11-12,15,18H,4-5,7-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 316.41 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118740884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).