7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine

C17H12ClF2N3O — CID 6056999

IUPAC7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine
SMILESFC(F)Oc1ccc(/C=N\Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H12ClF2N3O/c18-12-3-6-14-15(7-8-21-16(14)9-12)23-22-10-11-1-4-13(5-2-11)24-17(19)20/h1-10,17H,(H,21,23)/b22-10-
InChIKeyJNGNVISRIGMQPO-YVNNLAQVSA-N
MW347.75 g/mol
LogP4.94
Rot. Bonds5

About 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine

7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine (PubChem CID 6056999) has the molecular formula C17H12ClF2N3O and a molecular weight of 347.75 g/mol. Its IUPAC name is 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine
PubChem CID6056999
Molecular FormulaC17H12ClF2N3O
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Name7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine
SMILESFC(F)Oc1ccc(/C=N\Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H12ClF2N3O/c18-12-3-6-14-15(7-8-21-16(14)9-12)23-22-10-11-1-4-13(5-2-11)24-17(19)20/h1-10,17H,(H,21,23)/b22-10-
InChIKeyJNGNVISRIGMQPO-YVNNLAQVSA-N
XLogP4.94
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 54.94
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

N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
CID 3976117
N-[(4-tert-butylphenyl)methylideneamino]-7-chloroquinolin-4-amine
CID 4172043
7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 45487017
7-chloro-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 6064369
7-chloro-N-[(E)-(3-fluoro-4-imidazol-1-ylphenyl)methylideneamino]quinolin-4-amine;hydrochloride
CID 172537212
7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine
CID 4083692
4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 135608147
2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 5113513
7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
CID 6181870
7-(difluoromethoxy)-N-phenylquinolin-4-amine
CID 168886760
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine (CID 6056999) is 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine is FC(F)Oc1ccc(/C=N\Nc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine?
The InChIKey is JNGNVISRIGMQPO-YVNNLAQVSA-N. The full InChI is InChI=1S/C17H12ClF2N3O/c18-12-3-6-14-15(7-8-21-16(14)9-12)23-22-10-11-1-4-13(5-2-11)24-17(19)20/h1-10,17H,(H,21,23)/b22-10-.
What are the key properties of 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine?
7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine has a molecular weight of 347.75 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine is sourced from PubChem (CID 6056999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).