ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline

C25H30FN3O — CID 143945283

IUPACethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline
SMILESC=C(c1ccc2cccc(OC3CCNCC3F)c2n1)N1C=CC=C/C1=C/C.CC
InChIInChI=1S/C23H24FN3O.C2H6/c1-3-18-8-4-5-14-27(18)16(2)20-11-10-17-7-6-9-22(23(17)26-20)28-21-12-13-25-15-19(21)24;1-2/h3-11,14,19,21,25H,2,12-13,15H2,1H3;1-2H3/b18-3-;
InChIKeyMPMLMKUXROCVGR-SWORNFRKSA-N
MW407.53 g/mol
LogP5.60
Rot. Bonds4

About ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline

ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline (PubChem CID 143945283) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline.

Molecular Properties

Compound Nameethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline
PubChem CID143945283
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Nameethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline
SMILESC=C(c1ccc2cccc(OC3CCNCC3F)c2n1)N1C=CC=C/C1=C/C.CC
InChIInChI=1S/C23H24FN3O.C2H6/c1-3-18-8-4-5-14-27(18)16(2)20-11-10-17-7-6-9-22(23(17)26-20)28-21-12-13-25-15-19(21)24;1-2/h3-11,14,19,21,25H,2,12-13,15H2,1H3;1-2H3/b18-3-;
InChIKeyMPMLMKUXROCVGR-SWORNFRKSA-N
XLogP5.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3S,4R)-3-fluoropiperidin-4-yl]oxyquinoline;dihydrochloride
CID 67233960
8-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67233730
2-[3-[8-[(3S,4S)-3-fluoropiperidin-4-yl]oxyquinolin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxyethanol
CID 59176335
8-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-2-[7-(oxan-4-yloxy)imidazo[1,2-a]pyridin-3-yl]quinoline;dihydrochloride
CID 66782217
8-[(4S,5S)-5-fluoroazepan-4-yl]oxy-2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67233725
8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline
CID 59176310
8-[(3S)-3-fluoropiperidin-4-yl]oxy-2-[7-[(3R)-oxolan-3-yl]oxyimidazo[1,2-a]pyridin-3-yl]quinoline
CID 59176345
8-[(4S,5S)-5-fluoroazepan-4-yl]oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 67230102
3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine
CID 129278225
3-[(3R,4R)-3-fluoropiperidin-4-yl]oxybenzonitrile
CID 129278036
5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole
CID 139581403
8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride
CID 86263246

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline?
The IUPAC name of ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline (CID 143945283) is ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline.
What is the SMILES notation for ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline?
The canonical SMILES for ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline is C=C(c1ccc2cccc(OC3CCNCC3F)c2n1)N1C=CC=C/C1=C/C.CC.
What is the InChIKey of ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline?
The InChIKey is MPMLMKUXROCVGR-SWORNFRKSA-N. The full InChI is InChI=1S/C23H24FN3O.C2H6/c1-3-18-8-4-5-14-27(18)16(2)20-11-10-17-7-6-9-22(23(17)26-20)28-21-12-13-25-15-19(21)24;1-2/h3-11,14,19,21,25H,2,12-13,15H2,1H3;1-2H3/b18-3-;.
What are the key properties of ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline?
ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline has a molecular weight of 407.53 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-[(2Z)-2-ethylidene-1-pyridinyl]ethenyl]-8-(3-fluoropiperidin-4-yl)oxyquinoline is sourced from PubChem (CID 143945283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).