4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide

C19H14BrN3O4 — CID 135651442

IUPAC4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrN3O4/c20-14-3-1-11(2-4-14)19(25)23-21-10-13-7-12-8-16-17(27-6-5-26-16)9-15(12)22-18(13)24/h1-4,7-10H,5-6H2,(H,22,24)(H,23,25)/b21-10+
InChIKeyFMGICUAXNUVDOZ-UFFVCSGVSA-N
MW428.24 g/mol
LogP2.83
Rot. Bonds3

About 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide

4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide (PubChem CID 135651442) has the molecular formula C19H14BrN3O4 and a molecular weight of 428.24 g/mol. Its IUPAC name is 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide
PubChem CID135651442
Molecular FormulaC19H14BrN3O4
Molecular Weight428.24 g/mol
Exact Mass427.02
IUPAC Name4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrN3O4/c20-14-3-1-11(2-4-14)19(25)23-21-10-13-7-12-8-16-17(27-6-5-26-16)9-15(12)22-18(13)24/h1-4,7-10H,5-6H2,(H,22,24)(H,23,25)/b21-10+
InChIKeyFMGICUAXNUVDOZ-UFFVCSGVSA-N
XLogP2.83
TPSA92.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide
CID 135651698
4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 5169627
4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide
CID 89380473
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 136800738
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136773628
N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5056514
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide
CID 6034378
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2306297
4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2643480
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide (CID 135651442) is 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide is O=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide?
The InChIKey is FMGICUAXNUVDOZ-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H14BrN3O4/c20-14-3-1-11(2-4-14)19(25)23-21-10-13-7-12-8-16-17(27-6-5-26-16)9-15(12)22-18(13)24/h1-4,7-10H,5-6H2,(H,22,24)(H,23,25)/b21-10+.
What are the key properties of 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide?
4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide has a molecular weight of 428.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide is sourced from PubChem (CID 135651442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).