6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide

C19H16BrN3O2 — CID 135497912

IUPAC6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)nc2ccc(Br)cc12)c1ccccc1O
InChIInChI=1S/C19H16BrN3O2/c1-11-9-16(15-10-13(20)7-8-17(15)21-11)19(25)23-22-12(2)14-5-3-4-6-18(14)24/h3-10,24H,1-2H3,(H,23,25)/b22-12+
InChIKeyJZWBCLJLPHBCPQ-WSDLNYQXSA-N
MW398.26 g/mol
LogP4.17
Rot. Bonds3

About 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide

6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide (PubChem CID 135497912) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide
PubChem CID135497912
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)nc2ccc(Br)cc12)c1ccccc1O
InChIInChI=1S/C19H16BrN3O2/c1-11-9-16(15-10-13(20)7-8-17(15)21-11)19(25)23-22-12(2)14-5-3-4-6-18(14)24/h3-10,24H,1-2H3,(H,23,25)/b22-12+
InChIKeyJZWBCLJLPHBCPQ-WSDLNYQXSA-N
XLogP4.17
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide (CID 135497912) is 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide is C/C(=N\NC(=O)c1cc(C)nc2ccc(Br)cc12)c1ccccc1O.
What is the InChIKey of 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide?
The InChIKey is JZWBCLJLPHBCPQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-11-9-16(15-10-13(20)7-8-17(15)21-11)19(25)23-22-12(2)14-5-3-4-6-18(14)24/h3-10,24H,1-2H3,(H,23,25)/b22-12+.
What are the key properties of 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide?
6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 135497912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).