7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one

C16H20N4O — CID 82696351

IUPAC7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc(CC)n(-c2cc3c(cc2N)NC(=O)CC3)n1
InChIInChI=1S/C16H20N4O/c1-3-11-8-12(4-2)20(19-11)15-7-10-5-6-16(21)18-14(10)9-13(15)17/h7-9H,3-6,17H2,1-2H3,(H,18,21)
InChIKeyNLAPHMSOMGGTHQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds3

About 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82696351) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82696351
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc(CC)n(-c2cc3c(cc2N)NC(=O)CC3)n1
InChIInChI=1S/C16H20N4O/c1-3-11-8-12(4-2)20(19-11)15-7-10-5-6-16(21)18-14(10)9-13(15)17/h7-9H,3-6,17H2,1-2H3,(H,18,21)
InChIKeyNLAPHMSOMGGTHQ-UHFFFAOYSA-N
XLogP2.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 82696351) is 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one is CCc1cc(CC)n(-c2cc3c(cc2N)NC(=O)CC3)n1.
What is the InChIKey of 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NLAPHMSOMGGTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-11-8-12(4-2)20(19-11)15-7-10-5-6-16(21)18-14(10)9-13(15)17/h7-9H,3-6,17H2,1-2H3,(H,18,21).
What are the key properties of 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82696351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).