N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide

C16H20IN3O — CID 146428926

IUPACN-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2ccccc2c1N(C)CCCCI
InChIInChI=1S/C16H20IN3O/c1-12(21)19-15-11-18-14-8-4-3-7-13(14)16(15)20(2)10-6-5-9-17/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,21)
InChIKeyABTFCGSKJLMEKT-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.84
Rot. Bonds6

About N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide

N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide (PubChem CID 146428926) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide
PubChem CID146428926
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC NameN-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2ccccc2c1N(C)CCCCI
InChIInChI=1S/C16H20IN3O/c1-12(21)19-15-11-18-14-8-4-3-7-13(14)16(15)20(2)10-6-5-9-17/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,21)
InChIKeyABTFCGSKJLMEKT-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
N-methyl-3-(methylideneamino)-N-propylquinolin-4-amine
CID 166969759
methyl 2-[(3-carbamothioylquinolin-4-yl)-methylamino]acetate
CID 43669616

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide?
The IUPAC name of N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide (CID 146428926) is N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide.
What is the SMILES notation for N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide?
The canonical SMILES for N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide is CC(=O)Nc1cnc2ccccc2c1N(C)CCCCI.
What is the InChIKey of N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide?
The InChIKey is ABTFCGSKJLMEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O/c1-12(21)19-15-11-18-14-8-4-3-7-13(14)16(15)20(2)10-6-5-9-17/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide?
N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide has a molecular weight of 397.26 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide is sourced from PubChem (CID 146428926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).