4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide

C17H22N4 — CID 61441744

IUPAC4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(CCCC)C1CC1
InChIInChI=1S/C17H22N4/c1-2-3-10-21(12-8-9-12)16-13-6-4-5-7-15(13)20-11-14(16)17(18)19/h4-7,11-12H,2-3,8-10H2,1H3,(H3,18,19)
InChIKeyIZXMGQCRLUUNKC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.29
Rot. Bonds6

About 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide

4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide (PubChem CID 61441744) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
PubChem CID61441744
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(CCCC)C1CC1
InChIInChI=1S/C17H22N4/c1-2-3-10-21(12-8-9-12)16-13-6-4-5-7-15(13)20-11-14(16)17(18)19/h4-7,11-12H,2-3,8-10H2,1H3,(H3,18,19)
InChIKeyIZXMGQCRLUUNKC-UHFFFAOYSA-N
XLogP3.29
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide
CID 43669639
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
CID 107480189
4-[butyl(ethyl)amino]quinoline-3-carbothioamide
CID 43669583
2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide
CID 62496653
[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
CID 63375838
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide
CID 43669800
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide
CID 104958895
[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
CID 106768094

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide?
The IUPAC name of 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide (CID 61441744) is 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide.
What is the SMILES notation for 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide?
The canonical SMILES for 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1N(CCCC)C1CC1.
What is the InChIKey of 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide?
The InChIKey is IZXMGQCRLUUNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-3-10-21(12-8-9-12)16-13-6-4-5-7-15(13)20-11-14(16)17(18)19/h4-7,11-12H,2-3,8-10H2,1H3,(H3,18,19).
What are the key properties of 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide?
4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide has a molecular weight of 282.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide is sourced from PubChem (CID 61441744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).