4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

C18H14BrN3O2 — CID 5169627

IUPAC4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCc1ccc2[nH]c(=O)c(C=NNC(=O)c3ccc(Br)cc3)cc2c1
InChIInChI=1S/C18H14BrN3O2/c1-11-2-7-16-13(8-11)9-14(17(23)21-16)10-20-22-18(24)12-3-5-15(19)6-4-12/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyWCBJCSUFBDJZKY-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.36
Rot. Bonds3

About 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (PubChem CID 5169627) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
PubChem CID5169627
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCc1ccc2[nH]c(=O)c(C=NNC(=O)c3ccc(Br)cc3)cc2c1
InChIInChI=1S/C18H14BrN3O2/c1-11-2-7-16-13(8-11)9-14(17(23)21-16)10-20-22-18(24)12-3-5-15(19)6-4-12/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyWCBJCSUFBDJZKY-UHFFFAOYSA-N
XLogP3.36
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 136800738
[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea
CID 141311097
4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide
CID 135651442
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 137085097
N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135684696
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136774436
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 172960317

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (CID 5169627) is 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is Cc1ccc2[nH]c(=O)c(C=NNC(=O)c3ccc(Br)cc3)cc2c1.
What is the InChIKey of 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The InChIKey is WCBJCSUFBDJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c1-11-2-7-16-13(8-11)9-14(17(23)21-16)10-20-22-18(24)12-3-5-15(19)6-4-12/h2-10H,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide has a molecular weight of 384.23 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 5169627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).