(4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide

C11H12BrN3O2 — CID 6510085

IUPAC(4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide
SMILESCNC(=O)N1CC/C(=N/O)c2cc(Br)ccc21
InChIInChI=1S/C11H12BrN3O2/c1-13-11(16)15-5-4-9(14-17)8-6-7(12)2-3-10(8)15/h2-3,6,17H,4-5H2,1H3,(H,13,16)/b14-9-
InChIKeyXXGYFIOVPVNIOK-ZROIWOOFSA-N
MW298.14 g/mol
LogP2.18
Rot. Bonds

About (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide

(4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide (PubChem CID 6510085) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name(4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide
PubChem CID6510085
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name(4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide
SMILESCNC(=O)N1CC/C(=N/O)c2cc(Br)ccc21
InChIInChI=1S/C11H12BrN3O2/c1-13-11(16)15-5-4-9(14-17)8-6-7(12)2-3-10(8)15/h2-3,6,17H,4-5H2,1H3,(H,13,16)/b14-9-
InChIKeyXXGYFIOVPVNIOK-ZROIWOOFSA-N
XLogP2.18
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.18
H-Bond Donors ≤ 52
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 (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide?
The IUPAC name of (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide (CID 6510085) is (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide.
What is the SMILES notation for (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide?
The canonical SMILES for (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide is CNC(=O)N1CC/C(=N/O)c2cc(Br)ccc21.
What is the InChIKey of (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide?
The InChIKey is XXGYFIOVPVNIOK-ZROIWOOFSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-13-11(16)15-5-4-9(14-17)8-6-7(12)2-3-10(8)15/h2-3,6,17H,4-5H2,1H3,(H,13,16)/b14-9-.
What are the key properties of (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide?
(4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 6510085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).