N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine

C17H14ClN3O — CID 44537133

IUPACN-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine
SMILESCOc1cccc2c(NN=Cc3ccc(Cl)cc3)ccnc12
InChIInChI=1S/C17H14ClN3O/c1-22-16-4-2-3-14-15(9-10-19-17(14)16)21-20-11-12-5-7-13(18)8-6-12/h2-11H,1H3,(H,19,21)
InChIKeyCEEOMZJSOYOPNP-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.34
Rot. Bonds4

About N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine

N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine (PubChem CID 44537133) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine
PubChem CID44537133
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine
SMILESCOc1cccc2c(NN=Cc3ccc(Cl)cc3)ccnc12
InChIInChI=1S/C17H14ClN3O/c1-22-16-4-2-3-14-15(9-10-19-17(14)16)21-20-11-12-5-7-13(18)8-6-12/h2-11H,1H3,(H,19,21)
InChIKeyCEEOMZJSOYOPNP-UHFFFAOYSA-N
XLogP4.34
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
5-Chloro-8-phenoxyquinoline
CID 2767025
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
5-Chloro-8-[(3-Chlorobenzyl)oxy]quinoline
CID 56643075
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
8-Methoxyquinolin-4-amine
CID 16767485
5-Chloro-8-quinolyl N-phenylcarbamate
CID 853660
8-[3-(2-Chlorophenoxy)propoxy]quinoline
CID 2283001
((1E)-2-phenyl-1-azavinyl)(6-methoxy-2-methyl(4-quinolyl))amine
CID 19577710
7-chloro-N-[(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
CID 460005
7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 4008612
7-chloro-4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]quinoline
CID 9643000

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine (CID 44537133) is N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine is COc1cccc2c(NN=Cc3ccc(Cl)cc3)ccnc12.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine?
The InChIKey is CEEOMZJSOYOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-22-16-4-2-3-14-15(9-10-19-17(14)16)21-20-11-12-5-7-13(18)8-6-12/h2-11H,1H3,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine?
N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine has a molecular weight of 311.77 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-8-methoxyquinolin-4-amine is sourced from PubChem (CID 44537133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).