2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline

C20H18F2N4O — CID 9112272

IUPAC2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline
SMILESFc1ccc(N/N=C\c2cc3ccccc3nc2N2CCOCC2)c(F)c1
InChIInChI=1S/C20H18F2N4O/c21-16-5-6-19(17(22)12-16)25-23-13-15-11-14-3-1-2-4-18(14)24-20(15)26-7-9-27-10-8-26/h1-6,11-13,25H,7-10H2/b23-13-
InChIKeyLZFKPWUYIFNJSJ-QRVIBDJDSA-N
MW368.39 g/mol
LogP3.80
Rot. Bonds4

About 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline

2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline (PubChem CID 9112272) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline
PubChem CID9112272
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline
SMILESFc1ccc(N/N=C\c2cc3ccccc3nc2N2CCOCC2)c(F)c1
InChIInChI=1S/C20H18F2N4O/c21-16-5-6-19(17(22)12-16)25-23-13-15-11-14-3-1-2-4-18(14)24-20(15)26-7-9-27-10-8-26/h1-6,11-13,25H,7-10H2/b23-13-
InChIKeyLZFKPWUYIFNJSJ-QRVIBDJDSA-N
XLogP3.80
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline?
The IUPAC name of 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline (CID 9112272) is 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline?
The canonical SMILES for 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline is Fc1ccc(N/N=C\c2cc3ccccc3nc2N2CCOCC2)c(F)c1.
What is the InChIKey of 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline?
The InChIKey is LZFKPWUYIFNJSJ-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-16-5-6-19(17(22)12-16)25-23-13-15-11-14-3-1-2-4-18(14)24-20(15)26-7-9-27-10-8-26/h1-6,11-13,25H,7-10H2/b23-13-.
What are the key properties of 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline?
2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline has a molecular weight of 368.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline is sourced from PubChem (CID 9112272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).