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

C15H22N4O — CID 111823615

IUPAC2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
SMILESCC(C)C/N=C(\N)NCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-10(2)8-17-15(16)18-9-11-7-14(20)19-13-6-4-3-5-12(11)13/h3-6,10-11H,7-9H2,1-2H3,(H,19,20)(H3,16,17,18)
InChIKeyMTPDQXOPMXCNHQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.67
Rot. Bonds4

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

2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine (PubChem CID 111823615) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
PubChem CID111823615
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
SMILESCC(C)C/N=C(\N)NCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-10(2)8-17-15(16)18-9-11-7-14(20)19-13-6-4-3-5-12(11)13/h3-6,10-11H,7-9H2,1-2H3,(H,19,20)(H3,16,17,18)
InChIKeyMTPDQXOPMXCNHQ-UHFFFAOYSA-N
XLogP1.67
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
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 2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine (CID 111823615) is 2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine is CC(C)C/N=C(\N)NCC1CC(=O)Nc2ccccc21.
What is the InChIKey of 2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The InChIKey is MTPDQXOPMXCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)8-17-15(16)18-9-11-7-14(20)19-13-6-4-3-5-12(11)13/h3-6,10-11H,7-9H2,1-2H3,(H,19,20)(H3,16,17,18).
What are the key properties of 2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine has a molecular weight of 274.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine is sourced from PubChem (CID 111823615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).