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

C16H22N4O — CID 118740886

IUPAC1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCn1c2c(ccc1=O)CC(NCc1cnn(C)c1)CC2
InChIInChI=1S/C16H22N4O/c1-3-20-15-6-5-14(8-13(15)4-7-16(20)21)17-9-12-10-18-19(2)11-12/h4,7,10-11,14,17H,3,5-6,8-9H2,1-2H3
InChIKeyVTBSBHZNMYKHJH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.25
Rot. Bonds4

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

1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118740886) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118740886
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCn1c2c(ccc1=O)CC(NCc1cnn(C)c1)CC2
InChIInChI=1S/C16H22N4O/c1-3-20-15-6-5-14(8-13(15)4-7-16(20)21)17-9-12-10-18-19(2)11-12/h4,7,10-11,14,17H,3,5-6,8-9H2,1-2H3
InChIKeyVTBSBHZNMYKHJH-UHFFFAOYSA-N
XLogP1.25
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 118740886) is 1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is CCn1c2c(ccc1=O)CC(NCc1cnn(C)c1)CC2.
What is the InChIKey of 1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is VTBSBHZNMYKHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-20-15-6-5-14(8-13(15)4-7-16(20)21)17-9-12-10-18-19(2)11-12/h4,7,10-11,14,17H,3,5-6,8-9H2,1-2H3.
What are the key properties of 1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118740886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).