2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone

C22H17FN4O2 — CID 158169877

IUPAC2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone
SMILESCOC(c1cncnc1)c1cc(C(=O)Cc2ccc(F)cn2)c2ncccc2c1
InChIInChI=1S/C22H17FN4O2/c1-29-22(16-10-24-13-25-11-16)15-7-14-3-2-6-26-21(14)19(8-15)20(28)9-18-5-4-17(23)12-27-18/h2-8,10-13,22H,9H2,1H3
InChIKeyFXHYJLCSWOGTFA-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.72
Rot. Bonds6

About 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone

2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone (PubChem CID 158169877) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone
PubChem CID158169877
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone
SMILESCOC(c1cncnc1)c1cc(C(=O)Cc2ccc(F)cn2)c2ncccc2c1
InChIInChI=1S/C22H17FN4O2/c1-29-22(16-10-24-13-25-11-16)15-7-14-3-2-6-26-21(14)19(8-15)20(28)9-18-5-4-17(23)12-27-18/h2-8,10-13,22H,9H2,1H3
InChIKeyFXHYJLCSWOGTFA-UHFFFAOYSA-N
XLogP3.72
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone with MolForge

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Related Compounds

Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
ethyl 4-(3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxopyridin-1(2H)-yl)benzoate
CID 24879244
Ethyl 4-[[2-(4-pyridyl)quinazolin-4-yl]amino]benzoate
CID 127027208
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-8-fluoroquinoline-3-carboxylate
CID 134146336
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-6-fluoroquinoline-3-carboxylate
CID 134154720
N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
CID 118400863
Ethyl 5-amino-2-methyl-4-(pyridin-4-yl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
CID 44445184
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-6-methylquinoline-3-carboxylate
CID 134133221
6-[difluoro(pyrimidin-5-yl)methyl]-N-(6-methoxy-2-pyridinyl)quinoline-8-carboxamide
CID 145966503
US10196391, Example 15
CID 121456002
US9969749, Example 1-31
CID 130446798
Ethyl 4-[(2-fluorophenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258403

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone (CID 158169877) is 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone is COC(c1cncnc1)c1cc(C(=O)Cc2ccc(F)cn2)c2ncccc2c1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone?
The InChIKey is FXHYJLCSWOGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-29-22(16-10-24-13-25-11-16)15-7-14-3-2-6-26-21(14)19(8-15)20(28)9-18-5-4-17(23)12-27-18/h2-8,10-13,22H,9H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone?
2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone has a molecular weight of 388.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone is sourced from PubChem (CID 158169877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).