6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide

C21H18BrN3O2 — CID 4671456

IUPAC6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(O)cc1
InChIInChI=1S/C21H18BrN3O2/c1-12(13-4-7-16(26)8-5-13)24-25-21(27)18-11-20(14-2-3-14)23-19-9-6-15(22)10-17(18)19/h4-11,14,26H,2-3H2,1H3,(H,25,27)
InChIKeyBZXNZWIPIQRJBY-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.73
Rot. Bonds4

About 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide

6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide (PubChem CID 4671456) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
PubChem CID4671456
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC Name6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(O)cc1
InChIInChI=1S/C21H18BrN3O2/c1-12(13-4-7-16(26)8-5-13)24-25-21(27)18-11-20(14-2-3-14)23-19-9-6-15(22)10-17(18)19/h4-11,14,26H,2-3H2,1H3,(H,25,27)
InChIKeyBZXNZWIPIQRJBY-UHFFFAOYSA-N
XLogP4.73
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6040283
6-bromo-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(4-hydroxyphenyl)quinoline-4-carboxamide
CID 135647823
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
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
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
2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 5412205
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide (CID 4671456) is 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide is CC(=NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(O)cc1.
What is the InChIKey of 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide?
The InChIKey is BZXNZWIPIQRJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c1-12(13-4-7-16(26)8-5-13)24-25-21(27)18-11-20(14-2-3-14)23-19-9-6-15(22)10-17(18)19/h4-11,14,26H,2-3H2,1H3,(H,25,27).
What are the key properties of 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide?
6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide has a molecular weight of 424.30 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 4671456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).