N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine

C17H14ClN3O — CID 45481189

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
SMILESCOc1ccc2c(N/N=C/c3ccc(Cl)cc3)ccnc2c1
InChIInChI=1S/C17H14ClN3O/c1-22-14-6-7-15-16(8-9-19-17(15)10-14)21-20-11-12-2-4-13(18)5-3-12/h2-11H,1H3,(H,19,21)/b20-11+
InChIKeySIPJZKWGPIOPNH-RGVLZGJSSA-N
MW311.77 g/mol
LogP4.34
Rot. Bonds4

About N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine

N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine (PubChem CID 45481189) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
PubChem CID45481189
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
SMILESCOc1ccc2c(N/N=C/c3ccc(Cl)cc3)ccnc2c1
InChIInChI=1S/C17H14ClN3O/c1-22-14-6-7-15-16(8-9-19-17(15)10-14)21-20-11-12-2-4-13(18)5-3-12/h2-11H,1H3,(H,19,21)/b20-11+
InChIKeySIPJZKWGPIOPNH-RGVLZGJSSA-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-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine
CID 6056999
N-[(4-tert-butylphenyl)methylideneamino]-7-chloroquinolin-4-amine
CID 4172043
7-chloro-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 6064369
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
CID 3976117
7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 45487017
6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 44537167
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
CID 44537115
7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
CID 6181870
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
7-chloro-N-[(E)-(3-fluoro-4-imidazol-1-ylphenyl)methylideneamino]quinolin-4-amine;hydrochloride
CID 172537212

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine (CID 45481189) is N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine is COc1ccc2c(N/N=C/c3ccc(Cl)cc3)ccnc2c1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine?
The InChIKey is SIPJZKWGPIOPNH-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-22-14-6-7-15-16(8-9-19-17(15)10-14)21-20-11-12-2-4-13(18)5-3-12/h2-11H,1H3,(H,19,21)/b20-11+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine?
N-[(E)-(4-chlorophenyl)methylideneamino]-7-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-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine is sourced from PubChem (CID 45481189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).