N-(5-iodopentyl)-2-methylquinoline-4-carboxamide

C16H19IN2O — CID 107322663

IUPACN-(5-iodopentyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCCCI)c2ccccc2n1
InChIInChI=1S/C16H19IN2O/c1-12-11-14(13-7-3-4-8-15(13)19-12)16(20)18-10-6-2-5-9-17/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,20)
InChIKeyWCVUXSNUQFPUMF-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.88
Rot. Bonds6

About N-(5-iodopentyl)-2-methylquinoline-4-carboxamide

N-(5-iodopentyl)-2-methylquinoline-4-carboxamide (PubChem CID 107322663) has the molecular formula C16H19IN2O and a molecular weight of 382.25 g/mol. Its IUPAC name is N-(5-iodopentyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-2-methylquinoline-4-carboxamide
PubChem CID107322663
Molecular FormulaC16H19IN2O
Molecular Weight382.25 g/mol
Exact Mass382.05
IUPAC NameN-(5-iodopentyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCCCI)c2ccccc2n1
InChIInChI=1S/C16H19IN2O/c1-12-11-14(13-7-3-4-8-15(13)19-12)16(20)18-10-6-2-5-9-17/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,20)
InChIKeyWCVUXSNUQFPUMF-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(5-iodopentyl)-2-methylquinoline-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-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(5-iodopentyl)-2-methylquinoline-4-carboxamide (CID 107322663) is N-(5-iodopentyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-iodopentyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(5-iodopentyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCCCCCI)c2ccccc2n1.
What is the InChIKey of N-(5-iodopentyl)-2-methylquinoline-4-carboxamide?
The InChIKey is WCVUXSNUQFPUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O/c1-12-11-14(13-7-3-4-8-15(13)19-12)16(20)18-10-6-2-5-9-17/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,20).
What are the key properties of N-(5-iodopentyl)-2-methylquinoline-4-carboxamide?
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 107322663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).