N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide

C20H17Br2N3O — CID 58273213

IUPACN-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide
SMILESCc1c(Br)cc(/C=N/NC(=O)CCc2cccc3ncccc23)cc1Br
InChIInChI=1S/C20H17Br2N3O/c1-13-17(21)10-14(11-18(13)22)12-24-25-20(26)8-7-15-4-2-6-19-16(15)5-3-9-23-19/h2-6,9-12H,7-8H2,1H3,(H,25,26)/b24-12+
InChIKeyQTVPWNVUKRJKSJ-WYMPLXKRSA-N
MW475.18 g/mol
LogP5.15
Rot. Bonds5

About N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide

N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide (PubChem CID 58273213) has the molecular formula C20H17Br2N3O and a molecular weight of 475.18 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide
PubChem CID58273213
Molecular FormulaC20H17Br2N3O
Molecular Weight475.18 g/mol
Exact Mass472.97
IUPAC NameN-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide
SMILESCc1c(Br)cc(/C=N/NC(=O)CCc2cccc3ncccc23)cc1Br
InChIInChI=1S/C20H17Br2N3O/c1-13-17(21)10-14(11-18(13)22)12-24-25-20(26)8-7-15-4-2-6-19-16(15)5-3-9-23-19/h2-6,9-12H,7-8H2,1H3,(H,25,26)/b24-12+
InChIKeyQTVPWNVUKRJKSJ-WYMPLXKRSA-N
XLogP5.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.18
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide 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

2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 19061362
N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 3345435
3-quinolin-5-ylpropanoic acid
CID 81224223
N-[(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-methoxy-2-quinolin-5-ylacetamide
CID 72537569
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 126396553
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400
N-[(E)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944609
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515319
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126365212
2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 59770955
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 135558905
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide?
The IUPAC name of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide (CID 58273213) is N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide is Cc1c(Br)cc(/C=N/NC(=O)CCc2cccc3ncccc23)cc1Br.
What is the InChIKey of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide?
The InChIKey is QTVPWNVUKRJKSJ-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H17Br2N3O/c1-13-17(21)10-14(11-18(13)22)12-24-25-20(26)8-7-15-4-2-6-19-16(15)5-3-9-23-19/h2-6,9-12H,7-8H2,1H3,(H,25,26)/b24-12+.
What are the key properties of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide?
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide has a molecular weight of 475.18 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-3-quinolin-5-ylpropanamide is sourced from PubChem (CID 58273213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).