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

C15H20N4O — CID 118740889

IUPAC1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1cc(CNC2CCc3c(ccc(=O)n3C)C2)cn1
InChIInChI=1S/C15H20N4O/c1-18-10-11(9-17-18)8-16-13-4-5-14-12(7-13)3-6-15(20)19(14)2/h3,6,9-10,13,16H,4-5,7-8H2,1-2H3
InChIKeyBICSMFUNHCADBE-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.77
Rot. Bonds3

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

1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118740889) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118740889
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1cc(CNC2CCc3c(ccc(=O)n3C)C2)cn1
InChIInChI=1S/C15H20N4O/c1-18-10-11(9-17-18)8-16-13-4-5-14-12(7-13)3-6-15(20)19(14)2/h3,6,9-10,13,16H,4-5,7-8H2,1-2H3
InChIKeyBICSMFUNHCADBE-UHFFFAOYSA-N
XLogP0.77
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 118740889) is 1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is Cn1cc(CNC2CCc3c(ccc(=O)n3C)C2)cn1.
What is the InChIKey of 1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is BICSMFUNHCADBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-10-11(9-17-18)8-16-13-4-5-14-12(7-13)3-6-15(20)19(14)2/h3,6,9-10,13,16H,4-5,7-8H2,1-2H3.
What are the key properties of 1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 272.35 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118740889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).