6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C17H22N4O2 — CID 163397228

IUPAC6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCOc1ccc2c(c1)CCC(=O)N2)Cc1cnn(C)c1
InChIInChI=1S/C17H22N4O2/c1-20(11-13-10-18-21(2)12-13)7-8-23-15-4-5-16-14(9-15)3-6-17(22)19-16/h4-5,9-10,12H,3,6-8,11H2,1-2H3,(H,19,22)
InChIKeyZFGBQWNVIIKBFB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.82
Rot. Bonds6

About 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 163397228) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID163397228
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCOc1ccc2c(c1)CCC(=O)N2)Cc1cnn(C)c1
InChIInChI=1S/C17H22N4O2/c1-20(11-13-10-18-21(2)12-13)7-8-23-15-4-5-16-14(9-15)3-6-17(22)19-16/h4-5,9-10,12H,3,6-8,11H2,1-2H3,(H,19,22)
InChIKeyZFGBQWNVIIKBFB-UHFFFAOYSA-N
XLogP1.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 163397228) is 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is CN(CCOc1ccc2c(c1)CCC(=O)N2)Cc1cnn(C)c1.
What is the InChIKey of 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZFGBQWNVIIKBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(11-13-10-18-21(2)12-13)7-8-23-15-4-5-16-14(9-15)3-6-17(22)19-16/h4-5,9-10,12H,3,6-8,11H2,1-2H3,(H,19,22).
What are the key properties of 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 163397228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).