N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride

C16H17ClN2 — CID 135676228

IUPACN-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride
SMILESCl.c1ccc(C/N=C2\CCc3ccccc3N2)cc1
InChIInChI=1S/C16H16N2.ClH/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16;/h1-9H,10-12H2,(H,17,18);1H
InChIKeySLSZSELQSYLBGW-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.07
Rot. Bonds2

About N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride

N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride (PubChem CID 135676228) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride
PubChem CID135676228
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC NameN-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride
SMILESCl.c1ccc(C/N=C2\CCc3ccccc3N2)cc1
InChIInChI=1S/C16H16N2.ClH/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16;/h1-9H,10-12H2,(H,17,18);1H
InChIKeySLSZSELQSYLBGW-UHFFFAOYSA-N
XLogP4.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride?
The IUPAC name of N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride (CID 135676228) is N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride.
What is the SMILES notation for N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride?
The canonical SMILES for N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride is Cl.c1ccc(C/N=C2\CCc3ccccc3N2)cc1.
What is the InChIKey of N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride?
The InChIKey is SLSZSELQSYLBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.ClH/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16;/h1-9H,10-12H2,(H,17,18);1H.
What are the key properties of N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride?
N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dihydro-1H-quinolin-2-imine;hydrochloride is sourced from PubChem (CID 135676228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).