N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide

C30H20Br3N3O2 — CID 126041307

IUPACN-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C30H20Br3N3O2/c31-22-12-10-19(11-13-22)18-38-29-21(14-23(32)15-26(29)33)17-34-36-30(37)25-16-28(20-6-2-1-3-7-20)35-27-9-5-4-8-24(25)27/h1-17H,18H2,(H,36,37)/b34-17-
InChIKeyORROMLQAOORPSX-DLCNMLRHSA-N
MW694.22 g/mol
LogP8.53
Rot. Bonds7

About N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126041307) has the molecular formula C30H20Br3N3O2 and a molecular weight of 694.22 g/mol. Its IUPAC name is N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126041307
Molecular FormulaC30H20Br3N3O2
Molecular Weight694.22 g/mol
Exact Mass690.91
IUPAC NameN-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C30H20Br3N3O2/c31-22-12-10-19(11-13-22)18-38-29-21(14-23(32)15-26(29)33)17-34-36-30(37)25-16-28(20-6-2-1-3-7-20)35-27-9-5-4-8-24(25)27/h1-17H,18H2,(H,36,37)/b34-17-
InChIKeyORROMLQAOORPSX-DLCNMLRHSA-N
XLogP8.53
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.22
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[5-bromo-2-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036516
N-[(Z)-[3,5-dibromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126043013
N-[(Z)-[5-bromo-2-[(3-chlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126056455
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
N-[(Z)-[3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036718
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
4-[[2-bromo-6-methoxy-4-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126044534
N-[(Z)-[5-bromo-3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126054295
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126047213
N-[(Z)-(5-iodo-3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126038627
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
N-[(E)-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dibromophenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126056662

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126041307) is N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is ORROMLQAOORPSX-DLCNMLRHSA-N. The full InChI is InChI=1S/C30H20Br3N3O2/c31-22-12-10-19(11-13-22)18-38-29-21(14-23(32)15-26(29)33)17-34-36-30(37)25-16-28(20-6-2-1-3-7-20)35-27-9-5-4-8-24(25)27/h1-17H,18H2,(H,36,37)/b34-17-.
What are the key properties of N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 694.22 g/mol, XLogP of 8.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126041307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).