3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide

C18H14BrN3O2 — CID 142597281

IUPAC3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCc1nc2ccccc2c(C(=O)NN=Cc2ccccc2O)c1Br
InChIInChI=1S/C18H14BrN3O2/c1-11-17(19)16(13-7-3-4-8-14(13)21-11)18(24)22-20-10-12-6-2-5-9-15(12)23/h2-10,23H,1H3,(H,22,24)
InChIKeyGVOMKFSHLSESFJ-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.78
Rot. Bonds3

About 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide

3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide (PubChem CID 142597281) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
PubChem CID142597281
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCc1nc2ccccc2c(C(=O)NN=Cc2ccccc2O)c1Br
InChIInChI=1S/C18H14BrN3O2/c1-11-17(19)16(13-7-3-4-8-14(13)21-11)18(24)22-20-10-12-6-2-5-9-15(12)23/h2-10,23H,1H3,(H,22,24)
InChIKeyGVOMKFSHLSESFJ-UHFFFAOYSA-N
XLogP3.78
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.78
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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Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2316006
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 3835530
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135957404

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The IUPAC name of 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide (CID 142597281) is 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide is Cc1nc2ccccc2c(C(=O)NN=Cc2ccccc2O)c1Br.
What is the InChIKey of 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The InChIKey is GVOMKFSHLSESFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c1-11-17(19)16(13-7-3-4-8-14(13)21-11)18(24)22-20-10-12-6-2-5-9-15(12)23/h2-10,23H,1H3,(H,22,24).
What are the key properties of 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 142597281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).