[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone

C27H26FN3O2 — CID 167216670

IUPAC[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone
SMILESCC1=C2C=CC(c3cccnc3-c3ccc(F)c(C)c3)=CN2C(C(=O)N2CCOCC2)=CC1
InChIInChI=1S/C27H26FN3O2/c1-18-5-9-25(27(32)30-12-14-33-15-13-30)31-17-21(7-10-24(18)31)22-4-3-11-29-26(22)20-6-8-23(28)19(2)16-20/h3-4,6-11,16-17H,5,12-15H2,1-2H3
InChIKeyWKXDJHPHGYXVEJ-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.83
Rot. Bonds3

About [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone

[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone (PubChem CID 167216670) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone
PubChem CID167216670
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone
SMILESCC1=C2C=CC(c3cccnc3-c3ccc(F)c(C)c3)=CN2C(C(=O)N2CCOCC2)=CC1
InChIInChI=1S/C27H26FN3O2/c1-18-5-9-25(27(32)30-12-14-33-15-13-30)31-17-21(7-10-24(18)31)22-4-3-11-29-26(22)20-6-8-23(28)19(2)16-20/h3-4,6-11,16-17H,5,12-15H2,1-2H3
InChIKeyWKXDJHPHGYXVEJ-UHFFFAOYSA-N
XLogP4.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone
CID 159506571
4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]morpholine
CID 90095751
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 118448167
N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]morpholine-4-carboxamide
CID 90094843
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 167216673
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride
CID 69318749
3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine
CID 118447974
6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-ylpyridine-3-carboxamide;bis(1-[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]ethanone);[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]-morpholin-4-ylmethanone
CID 161483485
N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide
CID 123332581
CID 90319937
CID 90319937
2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
CID 90096296
1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol
CID 175830957

Frequently Asked Questions

What is the IUPAC name of [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone (CID 167216670) is [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone is CC1=C2C=CC(c3cccnc3-c3ccc(F)c(C)c3)=CN2C(C(=O)N2CCOCC2)=CC1.
What is the InChIKey of [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is WKXDJHPHGYXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-18-5-9-25(27(32)30-12-14-33-15-13-30)31-17-21(7-10-24(18)31)22-4-3-11-29-26(22)20-6-8-23(28)19(2)16-20/h3-4,6-11,16-17H,5,12-15H2,1-2H3.
What are the key properties of [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone?
[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 443.52 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methyl-2H-quinolizin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 167216670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).