(2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone

C15H16N4O2 — CID 77112212

IUPAC(2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(=NO)c3ccccc32)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-10-9-14(18(2)16-10)15(20)19-8-7-12(17-21)11-5-3-4-6-13(11)19/h3-6,9,21H,7-8H2,1-2H3
InChIKeyFXUBLIXQGJFECD-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.96
Rot. Bonds1

About (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone

(2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone (PubChem CID 77112212) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
PubChem CID77112212
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(=NO)c3ccccc32)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-10-9-14(18(2)16-10)15(20)19-8-7-12(17-21)11-5-3-4-6-13(11)19/h3-6,9,21H,7-8H2,1-2H3
InChIKeyFXUBLIXQGJFECD-UHFFFAOYSA-N
XLogP1.96
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033726
[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 114337042
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
CID 77033785
(2,5-dimethylpyrazol-3-yl)-[4-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]methanone
CID 166313668
[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone
CID 104670605
(2,5-dimethylpyrazol-3-yl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 66128403
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033598
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 83212443
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77115317
1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone
CID 107939249
4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 77033686

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone (CID 77112212) is (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone is Cc1cc(C(=O)N2CCC(=NO)c3ccccc32)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The InChIKey is FXUBLIXQGJFECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-9-14(18(2)16-10)15(20)19-8-7-12(17-21)11-5-3-4-6-13(11)19/h3-6,9,21H,7-8H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
(2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone is sourced from PubChem (CID 77112212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).