N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide

C22H16ClN3 — CID 23251138

IUPACN'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide
SMILESN/C(=N\c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H16ClN3/c23-17-12-10-15(11-13-17)20-14-21(18-8-4-5-9-19(18)25-20)26-22(24)16-6-2-1-3-7-16/h1-14H,(H2,24,25,26)
InChIKeyKZIVAHBJXHQREI-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.59
Rot. Bonds3

About N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide

N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide (PubChem CID 23251138) has the molecular formula C22H16ClN3 and a molecular weight of 357.84 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide
PubChem CID23251138
Molecular FormulaC22H16ClN3
Molecular Weight357.84 g/mol
Exact Mass357.10
IUPAC NameN'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide
SMILESN/C(=N\c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H16ClN3/c23-17-12-10-15(11-13-17)20-14-21(18-8-4-5-9-19(18)25-20)26-22(24)16-6-2-1-3-7-16/h1-14H,(H2,24,25,26)
InChIKeyKZIVAHBJXHQREI-UHFFFAOYSA-N
XLogP5.59
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.59
H-Bond Donors ≤ 51
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-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
N'-(2,5-dichlorophenyl)benzenecarboximidamide
CID 4119968
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-chlorophenyl)-4-ethoxyquinoline
CID 10880586
(2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9441676
4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide
CID 11854402
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2114772

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide?
The IUPAC name of N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide (CID 23251138) is N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide is N/C(=N\c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide?
The InChIKey is KZIVAHBJXHQREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3/c23-17-12-10-15(11-13-17)20-14-21(18-8-4-5-9-19(18)25-20)26-22(24)16-6-2-1-3-7-16/h1-14H,(H2,24,25,26).
What are the key properties of N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide?
N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide has a molecular weight of 357.84 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 23251138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).