2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide

C14H18N4 — CID 54991600

IUPAC2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)c1ccnc2ccccc12
InChIInChI=1S/C14H18N4/c1-10(14(15)16)9-18(2)13-7-8-17-12-6-4-3-5-11(12)13/h3-8,10H,9H2,1-2H3,(H3,15,16)
InChIKeyQMJHNZLVBSZAAM-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide

2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide (PubChem CID 54991600) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide
PubChem CID54991600
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)c1ccnc2ccccc12
InChIInChI=1S/C14H18N4/c1-10(14(15)16)9-18(2)13-7-8-17-12-6-4-3-5-11(12)13/h3-8,10H,9H2,1-2H3,(H3,15,16)
InChIKeyQMJHNZLVBSZAAM-UHFFFAOYSA-N
XLogP2.24
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide (CID 54991600) is 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)c1ccnc2ccccc12.
What is the InChIKey of 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide?
The InChIKey is QMJHNZLVBSZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(14(15)16)9-18(2)13-7-8-17-12-6-4-3-5-11(12)13/h3-8,10H,9H2,1-2H3,(H3,15,16).
What are the key properties of 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide?
2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide has a molecular weight of 242.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide is sourced from PubChem (CID 54991600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).