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

C14H16N4O2 — CID 116800289

IUPAC7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCn1cc(Oc2cc3c(cc2N)NC(=O)CC3)cn1
InChIInChI=1S/C14H16N4O2/c1-2-18-8-10(7-16-18)20-13-5-9-3-4-14(19)17-12(9)6-11(13)15/h5-8H,2-4,15H2,1H3,(H,17,19)
InChIKeyBYWOQHGPCUKMHT-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.16
Rot. Bonds3

About 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116800289) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID116800289
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCn1cc(Oc2cc3c(cc2N)NC(=O)CC3)cn1
InChIInChI=1S/C14H16N4O2/c1-2-18-8-10(7-16-18)20-13-5-9-3-4-14(19)17-12(9)6-11(13)15/h5-8H,2-4,15H2,1H3,(H,17,19)
InChIKeyBYWOQHGPCUKMHT-UHFFFAOYSA-N
XLogP2.16
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-6-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449952
7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649473
7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940155
2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
CID 103591089
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312
7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449981
6-amino-7-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649793
6-amino-7-trimethylsilyloxy-3,4-dihydro-1H-quinolin-2-one
CID 167723388
7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449941
7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 43449975
7-amino-6-(1-methylpyrazol-4-yl)oxy-4H-1,4-benzoxazin-3-one
CID 116792304

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 116800289) is 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is CCn1cc(Oc2cc3c(cc2N)NC(=O)CC3)cn1.
What is the InChIKey of 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BYWOQHGPCUKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-18-8-10(7-16-18)20-13-5-9-3-4-14(19)17-12(9)6-11(13)15/h5-8H,2-4,15H2,1H3,(H,17,19).
What are the key properties of 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 272.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116800289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).