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

C12H14BrN3O2 — CID 6510088

IUPAC(4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
SMILESCN(C)C(=O)N1CC/C(=N/O)c2cc(Br)ccc21
InChIInChI=1S/C12H14BrN3O2/c1-15(2)12(17)16-6-5-10(14-18)9-7-8(13)3-4-11(9)16/h3-4,7,18H,5-6H2,1-2H3/b14-10-
InChIKeyCCFGZXKGAMQZAW-UVTDQMKNSA-N
MW312.17 g/mol
LogP2.52
Rot. Bonds

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

(4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide (PubChem CID 6510088) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is (4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name(4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
PubChem CID6510088
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name(4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
SMILESCN(C)C(=O)N1CC/C(=N/O)c2cc(Br)ccc21
InChIInChI=1S/C12H14BrN3O2/c1-15(2)12(17)16-6-5-10(14-18)9-7-8(13)3-4-11(9)16/h3-4,7,18H,5-6H2,1-2H3/b14-10-
InChIKeyCCFGZXKGAMQZAW-UVTDQMKNSA-N
XLogP2.52
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.52
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 (4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
The IUPAC name of (4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide (CID 6510088) is (4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide.
What is the SMILES notation for (4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
The canonical SMILES for (4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide is CN(C)C(=O)N1CC/C(=N/O)c2cc(Br)ccc21.
What is the InChIKey of (4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
The InChIKey is CCFGZXKGAMQZAW-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-15(2)12(17)16-6-5-10(14-18)9-7-8(13)3-4-11(9)16/h3-4,7,18H,5-6H2,1-2H3/b14-10-.
What are the key properties of (4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide?
(4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 6510088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).