8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one

C20H11ClF2N2O2 — CID 67270821

IUPAC8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one
SMILESO=c1cc(-c2ccc(F)cc2F)c2cc[n+]([O-])c(-c3ccccc3Cl)c2[nH]1
InChIInChI=1S/C20H11ClF2N2O2/c21-16-4-2-1-3-14(16)20-19-13(7-8-25(20)27)15(10-18(26)24-19)12-6-5-11(22)9-17(12)23/h1-10H,(H,24,26)
InChIKeyNDGMAGAPJFKSEZ-UHFFFAOYSA-N
MW384.77 g/mol
LogP4.43
Rot. Bonds2

About 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one

8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one (PubChem CID 67270821) has the molecular formula C20H11ClF2N2O2 and a molecular weight of 384.77 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one.

Molecular Properties

Compound Name8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one
PubChem CID67270821
Molecular FormulaC20H11ClF2N2O2
Molecular Weight384.77 g/mol
Exact Mass384.05
IUPAC Name8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one
SMILESO=c1cc(-c2ccc(F)cc2F)c2cc[n+]([O-])c(-c3ccccc3Cl)c2[nH]1
InChIInChI=1S/C20H11ClF2N2O2/c21-16-4-2-1-3-14(16)20-19-13(7-8-25(20)27)15(10-18(26)24-19)12-6-5-11(22)9-17(12)23/h1-10H,(H,24,26)
InChIKeyNDGMAGAPJFKSEZ-UHFFFAOYSA-N
XLogP4.43
TPSA59.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
CID 67270610
8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium;4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 87616358
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
CID 67270546
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium
CID 24898752
1-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-2-oxidoisoquinolin-2-ium
CID 24815200
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium
CID 24896996
[3-amino-2-(2-chlorophenyl)-1-oxidopyridin-1-ium-4-yl]-(3-fluorophenyl)methanone
CID 67105535
4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24896768
8-(1,3-benzodioxol-4-yl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24899479
4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium
CID 24899986
7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one
CID 175937083
4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769977

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one?
The IUPAC name of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one (CID 67270821) is 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one.
What is the SMILES notation for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one?
The canonical SMILES for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one is O=c1cc(-c2ccc(F)cc2F)c2cc[n+]([O-])c(-c3ccccc3Cl)c2[nH]1.
What is the InChIKey of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one?
The InChIKey is NDGMAGAPJFKSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF2N2O2/c21-16-4-2-1-3-14(16)20-19-13(7-8-25(20)27)15(10-18(26)24-19)12-6-5-11(22)9-17(12)23/h1-10H,(H,24,26).
What are the key properties of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one?
8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one has a molecular weight of 384.77 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1H-1,7-naphthyridin-7-ium-2-one is sourced from PubChem (CID 67270821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).