N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine

C20H17FN4O — CID 155087009

IUPACN-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine
SMILESC=N/C=C(\N=C\C)C(Oc1ccc2ncccc2c1)c1ccc(F)cn1
InChIInChI=1S/C20H17FN4O/c1-3-23-19(13-22-2)20(18-8-6-15(21)12-25-18)26-16-7-9-17-14(11-16)5-4-10-24-17/h3-13,20H,2H2,1H3/b19-13-,23-3+
InChIKeyVTDHVMLQJXHNAG-XGNCDPKBSA-N
MW348.38 g/mol
LogP4.52
Rot. Bonds6

About N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine

N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine (PubChem CID 155087009) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine
PubChem CID155087009
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine
SMILESC=N/C=C(\N=C\C)C(Oc1ccc2ncccc2c1)c1ccc(F)cn1
InChIInChI=1S/C20H17FN4O/c1-3-23-19(13-22-2)20(18-8-6-15(21)12-25-18)26-16-7-9-17-14(11-16)5-4-10-24-17/h3-13,20H,2H2,1H3/b19-13-,23-3+
InChIKeyVTDHVMLQJXHNAG-XGNCDPKBSA-N
XLogP4.52
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine (CID 155087009) is N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine is C=N/C=C(\N=C\C)C(Oc1ccc2ncccc2c1)c1ccc(F)cn1.
What is the InChIKey of N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine?
The InChIKey is VTDHVMLQJXHNAG-XGNCDPKBSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-3-23-19(13-22-2)20(18-8-6-15(21)12-25-18)26-16-7-9-17-14(11-16)5-4-10-24-17/h3-13,20H,2H2,1H3/b19-13-,23-3+.
What are the key properties of N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine?
N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine has a molecular weight of 348.38 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(5-fluoro-2-pyridinyl)-1-(methylideneamino)-3-quinolin-6-yloxyprop-1-en-2-yl]ethanimine is sourced from PubChem (CID 155087009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).