[(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone

C17H15ClN2O2 — CID 15020410

IUPAC[(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC/C(=N\O)c2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O2/c1-11-4-2-3-5-13(11)17(21)20-9-8-15(19-22)14-7-6-12(18)10-16(14)20/h2-7,10,22H,8-9H2,1H3/b19-15+
InChIKeyQNVVIPJSXYGDMH-XDJHFCHBSA-N
MW314.77 g/mol
LogP3.88
Rot. Bonds1

About [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone

[(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone (PubChem CID 15020410) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone
PubChem CID15020410
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name[(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC/C(=N\O)c2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O2/c1-11-4-2-3-5-13(11)17(21)20-9-8-15(19-22)14-7-6-12(18)10-16(14)20/h2-7,10,22H,8-9H2,1H3/b19-15+
InChIKeyQNVVIPJSXYGDMH-XDJHFCHBSA-N
XLogP3.88
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.88
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

[(E)-[7-chloro-1-(2-methylbenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
CID 6338015
(6-chloro-1-sulfanylidene-3,4-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone
CID 10734153
(7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 54298287
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone
CID 88518332
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid
CID 88518331
2-chloro-4-(2-methylbenzoyl)-5,6-dihydrothieno[3,2-b]pyridin-7-one
CID 10518705
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77115317
(1,5-dimethylpyrazol-4-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033726
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
CID 77033785
(2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77112212
[(Z)-[1-(1,3-benzodioxole-4-carbonyl)-7-chloro-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
CID 24838873

Frequently Asked Questions

What is the IUPAC name of [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone (CID 15020410) is [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CC/C(=N\O)c2ccc(Cl)cc21.
What is the InChIKey of [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is QNVVIPJSXYGDMH-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-4-2-3-5-13(11)17(21)20-9-8-15(19-22)14-7-6-12(18)10-16(14)20/h2-7,10,22H,8-9H2,1H3/b19-15+.
What are the key properties of [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone?
[(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 314.77 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 15020410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).