N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide

C22H23N3 — CID 67553346

IUPACN'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\CCc1cccc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C22H23N3/c23-22(25-16-6-11-19-8-2-4-13-21(19)25)24-15-14-18-10-5-9-17-7-1-3-12-20(17)18/h1-5,7-10,12-13H,6,11,14-16H2,(H2,23,24)
InChIKeyDLKCRRQEZXXZBN-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.15
Rot. Bonds3

About N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide

N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide (PubChem CID 67553346) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
PubChem CID67553346
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC NameN'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\CCc1cccc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C22H23N3/c23-22(25-16-6-11-19-8-2-4-13-21(19)25)24-15-14-18-10-5-9-17-7-1-3-12-20(17)18/h1-5,7-10,12-13H,6,11,14-16H2,(H2,23,24)
InChIKeyDLKCRRQEZXXZBN-UHFFFAOYSA-N
XLogP4.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
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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Related Compounds

N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656
N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223792
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 17036150
1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride
CID 73350578
6-methyl-N'-propyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 62359573
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]guanidine
CID 82285615
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide (CID 67553346) is N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide is N/C(=N\CCc1cccc2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
The InChIKey is DLKCRRQEZXXZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c23-22(25-16-6-11-19-8-2-4-13-21(19)25)24-15-14-18-10-5-9-17-7-1-3-12-20(17)18/h1-5,7-10,12-13H,6,11,14-16H2,(H2,23,24).
What are the key properties of N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide has a molecular weight of 329.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 67553346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).