2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide

C17H19N3 — CID 107109980

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N1CCCc2ccccc21
InChIInChI=1S/C17H19N3/c1-12-6-4-9-14(17(18)19)16(12)20-11-5-8-13-7-2-3-10-15(13)20/h2-4,6-7,9-10H,5,8,11H2,1H3,(H3,18,19)
InChIKeyDQBWUFCXTFZWLO-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.36
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide

2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide (PubChem CID 107109980) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide
PubChem CID107109980
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N1CCCc2ccccc21
InChIInChI=1S/C17H19N3/c1-12-6-4-9-14(17(18)19)16(12)20-11-5-8-13-7-2-3-10-15(13)20/h2-4,6-7,9-10H,5,8,11H2,1H3,(H3,18,19)
InChIKeyDQBWUFCXTFZWLO-UHFFFAOYSA-N
XLogP3.36
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.36
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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Related Compounds

2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzenecarboximidamide
CID 81268399
methyl 3-amino-2-(3,4-dihydro-2H-quinolin-1-yl)benzoate
CID 115934046
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483358
3-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 107110319
3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 107110421
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107110287
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 64594554
2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide
CID 55234312
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
CID 107110466
6-(2,3-dihydroindol-1-yl)pyridine-2-carboximidamide
CID 64595927

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide (CID 107109980) is 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide?
The InChIKey is DQBWUFCXTFZWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-6-4-9-14(17(18)19)16(12)20-11-5-8-13-7-2-3-10-15(13)20/h2-4,6-7,9-10H,5,8,11H2,1H3,(H3,18,19).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).