3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine

C15H22N4O — CID 86780927

IUPAC3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
SMILESCCN/C(=N/CC1CC(=O)Nc2ccccc21)N(C)C
InChIInChI=1S/C15H22N4O/c1-4-16-15(19(2)3)17-10-11-9-14(20)18-13-8-6-5-7-12(11)13/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)(H,18,20)
InChIKeySKFDADLDGSTKFB-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.64
Rot. Bonds3

About 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine

3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine (PubChem CID 86780927) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
PubChem CID86780927
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
SMILESCCN/C(=N/CC1CC(=O)Nc2ccccc21)N(C)C
InChIInChI=1S/C15H22N4O/c1-4-16-15(19(2)3)17-10-11-9-14(20)18-13-8-6-5-7-12(11)13/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)(H,18,20)
InChIKeySKFDADLDGSTKFB-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The IUPAC name of 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine (CID 86780927) is 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine.
What is the SMILES notation for 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The canonical SMILES for 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine is CCN/C(=N/CC1CC(=O)Nc2ccccc21)N(C)C.
What is the InChIKey of 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The InChIKey is SKFDADLDGSTKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-16-15(19(2)3)17-10-11-9-14(20)18-13-8-6-5-7-12(11)13/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine has a molecular weight of 274.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine is sourced from PubChem (CID 86780927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).