6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide

C21H18BrN3O — CID 6040283

IUPAC6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccccc1
InChIInChI=1S/C21H18BrN3O/c1-13(14-5-3-2-4-6-14)24-25-21(26)18-12-20(15-7-8-15)23-19-10-9-16(22)11-17(18)19/h2-6,9-12,15H,7-8H2,1H3,(H,25,26)/b24-13-
InChIKeyAERCAOKHFUMGTQ-CFRMEGHHSA-N
MW408.30 g/mol
LogP5.03
Rot. Bonds4

About 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide

6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide (PubChem CID 6040283) has the molecular formula C21H18BrN3O and a molecular weight of 408.30 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
PubChem CID6040283
Molecular FormulaC21H18BrN3O
Molecular Weight408.30 g/mol
Exact Mass407.06
IUPAC Name6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccccc1
InChIInChI=1S/C21H18BrN3O/c1-13(14-5-3-2-4-6-14)24-25-21(26)18-12-20(15-7-8-15)23-19-10-9-16(22)11-17(18)19/h2-6,9-12,15H,7-8H2,1H3,(H,25,26)/b24-13-
InChIKeyAERCAOKHFUMGTQ-CFRMEGHHSA-N
XLogP5.03
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.30
LogP ≤ 55.03
H-Bond Donors ≤ 51
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

6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 4671456
2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 1226462
6-bromo-2-cyclopropylquinoline-4-carbohydrazide
CID 779890
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-2-cyclopropylquinoline-4-carboxamide
CID 3317994
2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 5412205
6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6303420
6-bromo-2-cyclopropyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6182189
6-bromo-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(4-hydroxyphenyl)quinoline-4-carboxamide
CID 135647823
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 6024659

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide (CID 6040283) is 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide is C/C(=N/NC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccccc1.
What is the InChIKey of 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide?
The InChIKey is AERCAOKHFUMGTQ-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H18BrN3O/c1-13(14-5-3-2-4-6-14)24-25-21(26)18-12-20(15-7-8-15)23-19-10-9-16(22)11-17(18)19/h2-6,9-12,15H,7-8H2,1H3,(H,25,26)/b24-13-.
What are the key properties of 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide?
6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6040283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).