1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione

C27H23FN2O5 — CID 163820877

IUPAC1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccc(F)cc3)CO4)ccnc2N1
InChIInChI=1S/C27H23FN2O5/c28-19-3-1-16(2-4-19)22(31)7-8-23(32)18-13-17-14-20(5-9-24(17)34-15-18)35-25-11-12-29-27-21(25)6-10-26(33)30-27/h1-5,9,11-12,14,18H,6-8,10,13,15H2,(H,29,30,33)
InChIKeyUUZWHJSKMOXDRK-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.68
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione

1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione (PubChem CID 163820877) has the molecular formula C27H23FN2O5 and a molecular weight of 474.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione
PubChem CID163820877
Molecular FormulaC27H23FN2O5
Molecular Weight474.49 g/mol
Exact Mass474.16
IUPAC Name1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccc(F)cc3)CO4)ccnc2N1
InChIInChI=1S/C27H23FN2O5/c28-19-3-1-16(2-4-19)22(31)7-8-23(32)18-13-17-14-20(5-9-24(17)34-15-18)35-25-11-12-29-27-21(25)6-10-26(33)30-27/h1-5,9,11-12,14,18H,6-8,10,13,15H2,(H,29,30,33)
InChIKeyUUZWHJSKMOXDRK-UHFFFAOYSA-N
XLogP4.68
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163559878
5-[[3-(5-acetyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712938
5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118948531
5-[[3-(4-methyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561075
5-[[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163909174
(3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 166959950
5-[[3-(5-pyridin-4-yl-3H-pyrrol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 158835012
5-[[3-[4-[(dimethylamino)methyl]-6-methyl-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561076
5-[[3-[5-(2-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163641755
5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162772345
5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712911
3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde
CID 166960073

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione (CID 163820877) is 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione is O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccc(F)cc3)CO4)ccnc2N1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione?
The InChIKey is UUZWHJSKMOXDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O5/c28-19-3-1-16(2-4-19)22(31)7-8-23(32)18-13-17-14-20(5-9-24(17)34-15-18)35-25-11-12-29-27-21(25)6-10-26(33)30-27/h1-5,9,11-12,14,18H,6-8,10,13,15H2,(H,29,30,33).
What are the key properties of 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione?
1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione has a molecular weight of 474.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione is sourced from PubChem (CID 163820877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).