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

C14H16N2O3 — CID 77033492

IUPAC(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C14H16N2O3/c17-14(10-6-8-19-9-10)16-7-5-12(15-18)11-3-1-2-4-13(11)16/h1-4,10,18H,5-9H2
InChIKeyCXZSHMSDYNCQRM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.64
Rot. Bonds1

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

(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone (PubChem CID 77033492) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone
PubChem CID77033492
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C14H16N2O3/c17-14(10-6-8-19-9-10)16-7-5-12(15-18)11-3-1-2-4-13(11)16/h1-4,10,18H,5-9H2
InChIKeyCXZSHMSDYNCQRM-UHFFFAOYSA-N
XLogP1.64
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone (CID 77033492) is (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCC(=NO)c2ccccc21.
What is the InChIKey of (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone?
The InChIKey is CXZSHMSDYNCQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-14(10-6-8-19-9-10)16-7-5-12(15-18)11-3-1-2-4-13(11)16/h1-4,10,18H,5-9H2.
What are the key properties of (4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone?
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone has a molecular weight of 260.29 g/mol, XLogP of 1.64, 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)-(oxolan-3-yl)methanone is sourced from PubChem (CID 77033492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).