ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine

C23H24FN3 — CID 145212591

IUPACethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C\C)c1c(-c2ccccn2)c(C)nc2ccc(F)cc12.CC
InChIInChI=1S/C21H18FN3.C2H6/c1-4-8-18(23-5-2)21-16-13-15(22)10-11-17(16)25-14(3)20(21)19-9-6-7-12-24-19;1-2/h4-13H,1H2,2-3H3;1-2H3/b18-8-,23-5+;
InChIKeyNVRQMOBZWYWHLG-KZEHXAAWSA-N
MW361.46 g/mol
LogP6.39
Rot. Bonds4

About ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine

ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine (PubChem CID 145212591) has the molecular formula C23H24FN3 and a molecular weight of 361.46 g/mol. Its IUPAC name is ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine
PubChem CID145212591
Molecular FormulaC23H24FN3
Molecular Weight361.46 g/mol
Exact Mass361.20
IUPAC Nameethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C\C)c1c(-c2ccccn2)c(C)nc2ccc(F)cc12.CC
InChIInChI=1S/C21H18FN3.C2H6/c1-4-8-18(23-5-2)21-16-13-15(22)10-11-17(16)25-14(3)20(21)19-9-6-7-12-24-19;1-2/h4-13H,1H2,2-3H3;1-2H3/b18-8-,23-5+;
InChIKeyNVRQMOBZWYWHLG-KZEHXAAWSA-N
XLogP6.39
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.46
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine?
The IUPAC name of ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine (CID 145212591) is ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine.
What is the SMILES notation for ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine?
The canonical SMILES for ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine is C=C/C=C(\N=C\C)c1c(-c2ccccn2)c(C)nc2ccc(F)cc12.CC.
What is the InChIKey of ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine?
The InChIKey is NVRQMOBZWYWHLG-KZEHXAAWSA-N. The full InChI is InChI=1S/C21H18FN3.C2H6/c1-4-8-18(23-5-2)21-16-13-15(22)10-11-17(16)25-14(3)20(21)19-9-6-7-12-24-19;1-2/h4-13H,1H2,2-3H3;1-2H3/b18-8-,23-5+;.
What are the key properties of ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine?
ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine has a molecular weight of 361.46 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-1-(6-fluoro-2-methyl-3-pyridin-2-ylquinolin-4-yl)buta-1,3-dienyl]ethanimine is sourced from PubChem (CID 145212591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).