6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one

C13H14N4O2 — CID 103079039

IUPAC6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(N)c(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C13H14N4O2/c1-17-7-10(14)13(16-17)19-9-3-4-11-8(6-9)2-5-12(18)15-11/h3-4,6-7H,2,5,14H2,1H3,(H,15,18)
InChIKeyVUABJUZKJABTOH-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.68
Rot. Bonds2

About 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one

6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 103079039) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID103079039
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(N)c(Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C13H14N4O2/c1-17-7-10(14)13(16-17)19-9-3-4-11-8(6-9)2-5-12(18)15-11/h3-4,6-7H,2,5,14H2,1H3,(H,15,18)
InChIKeyVUABJUZKJABTOH-UHFFFAOYSA-N
XLogP1.68
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-amino-4-methyl-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 79175974
6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 112725503
6-(1-methylindazol-5-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 166453232
6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 79081517
6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80865473
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridazine-4-carbonitrile
CID 80510072
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 28972700
6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 63867081
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613
6-(2-hydrazinyl-6-methylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80909861

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 103079039) is 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one is Cn1cc(N)c(Oc2ccc3c(c2)CCC(=O)N3)n1.
What is the InChIKey of 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VUABJUZKJABTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17-7-10(14)13(16-17)19-9-3-4-11-8(6-9)2-5-12(18)15-11/h3-4,6-7H,2,5,14H2,1H3,(H,15,18).
What are the key properties of 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 103079039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).