1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone

C14H18N2O3 — CID 107939249

IUPAC1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-2-9-19-10-14(17)16-8-7-12(15-18)11-5-3-4-6-13(11)16/h3-6,18H,2,7-10H2,1H3/b15-12-
InChIKeyPVLXVYQYTAJXOG-QINSGFPZSA-N
MW262.31 g/mol
LogP2.03
Rot. Bonds4

About 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone

1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone (PubChem CID 107939249) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone.

Molecular Properties

Compound Name1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone
PubChem CID107939249
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-2-9-19-10-14(17)16-8-7-12(15-18)11-5-3-4-6-13(11)16/h3-6,18H,2,7-10H2,1H3/b15-12-
InChIKeyPVLXVYQYTAJXOG-QINSGFPZSA-N
XLogP2.03
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-3-propoxypropan-1-one
CID 114337068
1-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 77033398
(NZ)-N-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 103410031
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-3-methylsulfanylpropan-1-one
CID 114337056
methyl (5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepine-1-carboxylate
CID 114337121
4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 77033686
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
CID 77033785
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone?
The IUPAC name of 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone (CID 107939249) is 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone.
What is the SMILES notation for 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone?
The canonical SMILES for 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone is CCCOCC(=O)N1CC/C(=N/O)c2ccccc21.
What is the InChIKey of 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone?
The InChIKey is PVLXVYQYTAJXOG-QINSGFPZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-9-19-10-14(17)16-8-7-12(15-18)11-5-3-4-6-13(11)16/h3-6,18H,2,7-10H2,1H3/b15-12-.
What are the key properties of 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone?
1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone has a molecular weight of 262.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone is sourced from PubChem (CID 107939249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).