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

C16H13ClN2O2 — CID 77033396

IUPAC(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C16H13ClN2O2/c17-12-7-5-11(6-8-12)16(20)19-10-9-14(18-21)13-3-1-2-4-15(13)19/h1-8,21H,9-10H2
InChIKeyPDVZYQXZYKRLSC-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.57
Rot. Bonds1

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

(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone (PubChem CID 77033396) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
PubChem CID77033396
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C16H13ClN2O2/c17-12-7-5-11(6-8-12)16(20)19-10-9-14(18-21)13-3-1-2-4-15(13)19/h1-8,21H,9-10H2
InChIKeyPDVZYQXZYKRLSC-UHFFFAOYSA-N
XLogP3.57
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone
CID 104670605
(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033598
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77115317
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
CID 77033785
[(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone
CID 15020410
4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 77033686
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone
CID 88518332
(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
1-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 77033398
(NZ)-N-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337325
(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
CID 110738192

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone (CID 77033396) is (4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCC(=NO)c2ccccc21.
What is the InChIKey of (4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The InChIKey is PDVZYQXZYKRLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-7-5-11(6-8-12)16(20)19-10-9-14(18-21)13-3-1-2-4-15(13)19/h1-8,21H,9-10H2.
What are the key properties of (4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone has a molecular weight of 300.75 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone is sourced from PubChem (CID 77033396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).