N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine

C18H16ClN3O — CID 44537143

IUPACN-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NN=Cc3ccccc3Cl)cc(C)nc12
InChIInChI=1S/C18H16ClN3O/c1-12-10-16(14-7-5-9-17(23-2)18(14)21-12)22-20-11-13-6-3-4-8-15(13)19/h3-11H,1-2H3,(H,21,22)
InChIKeyOHFWBPQZYJCBKS-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.65
Rot. Bonds4

About N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine

N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine (PubChem CID 44537143) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine
PubChem CID44537143
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NN=Cc3ccccc3Cl)cc(C)nc12
InChIInChI=1S/C18H16ClN3O/c1-12-10-16(14-7-5-9-17(23-2)18(14)21-12)22-20-11-13-6-3-4-8-15(13)19/h3-11H,1-2H3,(H,21,22)
InChIKeyOHFWBPQZYJCBKS-UHFFFAOYSA-N
XLogP4.65
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.65
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

8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
8-Methoxyquinolin-4-amine
CID 16767485
2-Chloro-8-methoxyquinoline
CID 3585267
N-(4-Methoxy-benzylidene)-N'-(2-methyl-quinolin-4-yl)-hydrazine
CID 9594929
N-(2,8-Dimethyl-quinolin-4-yl)-N'-(4-methoxy-benzylidene)-hydrazine
CID 9594956
((1E)-2-phenyl-1-azavinyl)(6-methoxy-2-methyl(4-quinolyl))amine
CID 19577710
N-(4-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 745456
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 4008612
7-chloro-4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]quinoline
CID 9643000
8-(2,6-Dichlorobenzyloxy)-2-methylquinoline
CID 22113261
Benzaldehyde, 4-methoxy-, (6-methoxy-4-quinolinyl)hydrazone
CID 24810637

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine (CID 44537143) is N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine is COc1cccc2c(NN=Cc3ccccc3Cl)cc(C)nc12.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is OHFWBPQZYJCBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-10-16(14-7-5-9-17(23-2)18(14)21-12)22-20-11-13-6-3-4-8-15(13)19/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine?
N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine has a molecular weight of 325.80 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 44537143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).