N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide

C18H14BrN3O2 — CID 3835530

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C18H14BrN3O2/c1-11-15(9-12-4-2-3-5-16(12)21-11)18(24)22-20-10-13-8-14(19)6-7-17(13)23/h2-10,23H,1H3,(H,22,24)
InChIKeyZEYNMOZUDYXISN-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.78
Rot. Bonds3

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide (PubChem CID 3835530) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
PubChem CID3835530
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C18H14BrN3O2/c1-11-15(9-12-4-2-3-5-16(12)21-11)18(24)22-20-10-13-8-14(19)6-7-17(13)23/h2-10,23H,1H3,(H,22,24)
InChIKeyZEYNMOZUDYXISN-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-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
5-bromo-2-hydroxy-N-[[2-(4-methylphenyl)sulfanylquinolin-3-yl]methylideneamino]benzamide
CID 2247767
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 137203260
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 6875795
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 838467
N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
CID 838465
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
CID 6110691

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide (CID 3835530) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NN=Cc1cc(Br)ccc1O.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
The InChIKey is ZEYNMOZUDYXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c1-11-15(9-12-4-2-3-5-16(12)21-11)18(24)22-20-10-13-8-14(19)6-7-17(13)23/h2-10,23H,1H3,(H,22,24).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-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 N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 3835530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).