1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one

C14H17ClN2O2 — CID 6510074

IUPAC1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O2/c1-9(2)7-14(18)17-6-5-12(16-19)11-8-10(15)3-4-13(11)17/h3-4,8-9,19H,5-7H2,1-2H3/b16-12-
InChIKeyAHNPJQHOUHIVKU-VBKFSLOCSA-N
MW280.75 g/mol
LogP3.30
Rot. Bonds2

About 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one

1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one (PubChem CID 6510074) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one
PubChem CID6510074
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O2/c1-9(2)7-14(18)17-6-5-12(16-19)11-8-10(15)3-4-13(11)17/h3-4,8-9,19H,5-7H2,1-2H3/b16-12-
InChIKeyAHNPJQHOUHIVKU-VBKFSLOCSA-N
XLogP3.30
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one (CID 6510074) is 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21.
What is the InChIKey of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one?
The InChIKey is AHNPJQHOUHIVKU-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(2)7-14(18)17-6-5-12(16-19)11-8-10(15)3-4-13(11)17/h3-4,8-9,19H,5-7H2,1-2H3/b16-12-.
What are the key properties of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one?
1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one has a molecular weight of 280.75 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 6510074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).