4-[methyl(pentyl)amino]quinoline-3-carboximidamide

C16H22N4 — CID 43669819

IUPAC4-[methyl(pentyl)amino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(C)CCCCC
InChIInChI=1S/C16H22N4/c1-3-4-7-10-20(2)15-12-8-5-6-9-14(12)19-11-13(15)16(17)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H3,17,18)
InChIKeyVVGPHGDHHFZCCU-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.15
Rot. Bonds6

About 4-[methyl(pentyl)amino]quinoline-3-carboximidamide

4-[methyl(pentyl)amino]quinoline-3-carboximidamide (PubChem CID 43669819) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[methyl(pentyl)amino]quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[methyl(pentyl)amino]quinoline-3-carboximidamide
PubChem CID43669819
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-[methyl(pentyl)amino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(C)CCCCC
InChIInChI=1S/C16H22N4/c1-3-4-7-10-20(2)15-12-8-5-6-9-14(12)19-11-13(15)16(17)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H3,17,18)
InChIKeyVVGPHGDHHFZCCU-UHFFFAOYSA-N
XLogP3.15
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
CID 61441744
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
CID 107480189
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
4-[butyl(ethyl)amino]quinoline-3-carbothioamide
CID 43669583
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentyl)amino]quinoline-3-carboximidamide?
The IUPAC name of 4-[methyl(pentyl)amino]quinoline-3-carboximidamide (CID 43669819) is 4-[methyl(pentyl)amino]quinoline-3-carboximidamide.
What is the SMILES notation for 4-[methyl(pentyl)amino]quinoline-3-carboximidamide?
The canonical SMILES for 4-[methyl(pentyl)amino]quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1N(C)CCCCC.
What is the InChIKey of 4-[methyl(pentyl)amino]quinoline-3-carboximidamide?
The InChIKey is VVGPHGDHHFZCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-4-7-10-20(2)15-12-8-5-6-9-14(12)19-11-13(15)16(17)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H3,17,18).
What are the key properties of 4-[methyl(pentyl)amino]quinoline-3-carboximidamide?
4-[methyl(pentyl)amino]quinoline-3-carboximidamide has a molecular weight of 270.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentyl)amino]quinoline-3-carboximidamide is sourced from PubChem (CID 43669819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).