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

C17H11ClF3N3 — CID 3976117

IUPAC7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
SMILESFC(F)(F)c1ccc(C=NNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H11ClF3N3/c18-13-5-6-14-15(7-8-22-16(14)9-13)24-23-10-11-1-3-12(4-2-11)17(19,20)21/h1-10H,(H,22,24)
InChIKeyFSNLCZYEBYVJFY-UHFFFAOYSA-N
MW349.74 g/mol
LogP5.35
Rot. Bonds3

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

7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine (PubChem CID 3976117) has the molecular formula C17H11ClF3N3 and a molecular weight of 349.74 g/mol. Its IUPAC name is 7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
PubChem CID3976117
Molecular FormulaC17H11ClF3N3
Molecular Weight349.74 g/mol
Exact Mass349.06
IUPAC Name7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
SMILESFC(F)(F)c1ccc(C=NNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H11ClF3N3/c18-13-5-6-14-15(7-8-22-16(14)9-13)24-23-10-11-1-3-12(4-2-11)17(19,20)21/h1-10H,(H,22,24)
InChIKeyFSNLCZYEBYVJFY-UHFFFAOYSA-N
XLogP5.35
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.74
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine (CID 3976117) is 7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine is FC(F)(F)c1ccc(C=NNc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine?
The InChIKey is FSNLCZYEBYVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3/c18-13-5-6-14-15(7-8-22-16(14)9-13)24-23-10-11-1-3-12(4-2-11)17(19,20)21/h1-10H,(H,22,24).
What are the key properties of 7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine?
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine has a molecular weight of 349.74 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine is sourced from PubChem (CID 3976117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).