2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride

C16H18ClN3 — CID 45261343

IUPAC2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1c2ccccc2CCC1c1ccccc1
InChIInChI=1S/C16H17N3.ClH/c17-16(18)19-14-9-5-4-8-13(14)10-11-15(19)12-6-2-1-3-7-12;/h1-9,15H,10-11H2,(H3,17,18);1H
InChIKeyLDVCGIKEIGIGBC-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.50
Rot. Bonds1

About 2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride

2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (PubChem CID 45261343) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
PubChem CID45261343
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1c2ccccc2CCC1c1ccccc1
InChIInChI=1S/C16H17N3.ClH/c17-16(18)19-14-9-5-4-8-13(14)10-11-15(19)12-6-2-1-3-7-12;/h1-9,15H,10-11H2,(H3,17,18);1H
InChIKeyLDVCGIKEIGIGBC-UHFFFAOYSA-N
XLogP3.50
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The IUPAC name of 2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (CID 45261343) is 2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.
What is the SMILES notation for 2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The canonical SMILES for 2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1c2ccccc2CCC1c1ccccc1.
What is the InChIKey of 2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The InChIKey is LDVCGIKEIGIGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.ClH/c17-16(18)19-14-9-5-4-8-13(14)10-11-15(19)12-6-2-1-3-7-12;/h1-9,15H,10-11H2,(H3,17,18);1H.
What are the key properties of 2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride is sourced from PubChem (CID 45261343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).