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

C15H14N2O3 — CID 77033785

IUPAC(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(=NO)c3ccccc32)o1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-14(20-10)15(18)17-9-8-12(16-19)11-4-2-3-5-13(11)17/h2-7,19H,8-9H2,1H3
InChIKeyDYKGNTBHULUOIR-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.82
Rot. Bonds1

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

(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 77033785) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
PubChem CID77033785
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(=NO)c3ccccc32)o1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-14(20-10)15(18)17-9-8-12(16-19)11-4-2-3-5-13(11)17/h2-7,19H,8-9H2,1H3
InChIKeyDYKGNTBHULUOIR-UHFFFAOYSA-N
XLogP2.82
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(5-methylfuran-2-yl)methanone
CID 114337091
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
(2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77112212
(1,5-dimethylpyrazol-4-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033726
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone
CID 77033492
[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone
CID 104670605
4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 77033686
1-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 77033398
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77115317
(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033598
[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 114337100

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone (CID 77033785) is (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCC(=NO)c3ccccc32)o1.
What is the InChIKey of (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is DYKGNTBHULUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-6-7-14(20-10)15(18)17-9-8-12(16-19)11-4-2-3-5-13(11)17/h2-7,19H,8-9H2,1H3.
What are the key properties of (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone?
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 270.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 77033785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).