3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one

C33H27F2N3O5 — CID 167532366

IUPAC3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4cn5c(c(-c6ccc(F)cc6)c4=O)CCCC5)cc3F)c2nc1OC
InChIInChI=1S/C33H27F2N3O5/c1-41-29-17-24-31(37-33(29)42-2)28(12-13-36-24)43-27-11-6-19(15-23(27)35)16-26(39)22-18-38-14-4-3-5-25(38)30(32(22)40)20-7-9-21(34)10-8-20/h6-13,15,17-18H,3-5,14,16H2,1-2H3
InChIKeyADLCOFATVMPKDC-UHFFFAOYSA-N
MW583.59 g/mol
LogP6.31
Rot. Bonds8

About 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one (PubChem CID 167532366) has the molecular formula C33H27F2N3O5 and a molecular weight of 583.59 g/mol. Its IUPAC name is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one.

Molecular Properties

Compound Name3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one
PubChem CID167532366
Molecular FormulaC33H27F2N3O5
Molecular Weight583.59 g/mol
Exact Mass583.19
IUPAC Name3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4cn5c(c(-c6ccc(F)cc6)c4=O)CCCC5)cc3F)c2nc1OC
InChIInChI=1S/C33H27F2N3O5/c1-41-29-17-24-31(37-33(29)42-2)28(12-13-36-24)43-27-11-6-19(15-23(27)35)16-26(39)22-18-38-14-4-3-5-25(38)30(32(22)40)20-7-9-21(34)10-8-20/h6-13,15,17-18H,3-5,14,16H2,1-2H3
InChIKeyADLCOFATVMPKDC-UHFFFAOYSA-N
XLogP6.31
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.59
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one with MolForge

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Related Compounds

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one
CID 167699902
1-(difluoromethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 167639336
1-(difluoromethyl)-5-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-methylpyridin-4-one
CID 167578066
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one
CID 167632914
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
CID 167703742
5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
CID 167621785
2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1-[6-(4-fluorophenyl)-5-methylpyrazin-2-yl]ethanone
CID 167668825
5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one
CID 167641188
5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one
CID 167627281
2-chloro-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one
CID 167640769
2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one
CID 167605635
3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one
CID 167631643

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one?
The IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one (CID 167532366) is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one.
What is the SMILES notation for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one?
The canonical SMILES for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one is COc1cc2nccc(Oc3ccc(CC(=O)c4cn5c(c(-c6ccc(F)cc6)c4=O)CCCC5)cc3F)c2nc1OC.
What is the InChIKey of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one?
The InChIKey is ADLCOFATVMPKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F2N3O5/c1-41-29-17-24-31(37-33(29)42-2)28(12-13-36-24)43-27-11-6-19(15-23(27)35)16-26(39)22-18-38-14-4-3-5-25(38)30(32(22)40)20-7-9-21(34)10-8-20/h6-13,15,17-18H,3-5,14,16H2,1-2H3.
What are the key properties of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one?
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one has a molecular weight of 583.59 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one is sourced from PubChem (CID 167532366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).