(E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine

C21H19FN4O — CID 122179438

IUPAC(E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine
SMILESCCO/N=C(\C)c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
InChIInChI=1S/C21H19FN4O/c1-3-27-25-14(2)17-11-19(22)21-24-12-18(26(21)13-17)10-15-6-7-20-16(9-15)5-4-8-23-20/h4-9,11-13H,3,10H2,1-2H3/b25-14+
InChIKeyHJBBFDPKSRIPHZ-AFUMVMLFSA-N
MW362.41 g/mol
LogP4.37
Rot. Bonds5

About (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine

(E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine (PubChem CID 122179438) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine
PubChem CID122179438
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name(E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine
SMILESCCO/N=C(\C)c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
InChIInChI=1S/C21H19FN4O/c1-3-27-25-14(2)17-11-19(22)21-24-12-18(26(21)13-17)10-15-6-7-20-16(9-15)5-4-8-23-20/h4-9,11-13H,3,10H2,1-2H3/b25-14+
InChIKeyHJBBFDPKSRIPHZ-AFUMVMLFSA-N
XLogP4.37
TPSA51.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
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 (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine?
The IUPAC name of (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine (CID 122179438) is (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine.
What is the SMILES notation for (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine?
The canonical SMILES for (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine is CCO/N=C(\C)c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1.
What is the InChIKey of (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine?
The InChIKey is HJBBFDPKSRIPHZ-AFUMVMLFSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-3-27-25-14(2)17-11-19(22)21-24-12-18(26(21)13-17)10-15-6-7-20-16(9-15)5-4-8-23-20/h4-9,11-13H,3,10H2,1-2H3/b25-14+.
What are the key properties of (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine?
(E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine has a molecular weight of 362.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine is sourced from PubChem (CID 122179438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).