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

C20H11ClF2N2O — CID 67270610

IUPAC8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
SMILESO=c1cc(-c2ccc(F)cc2F)c2ccnc(-c3ccccc3Cl)c2[nH]1
InChIInChI=1S/C20H11ClF2N2O/c21-16-4-2-1-3-14(16)19-20-13(7-8-24-19)15(10-18(26)25-20)12-6-5-11(22)9-17(12)23/h1-10H,(H,25,26)
InChIKeyBKHUAXXREOUNLF-UHFFFAOYSA-N
MW368.77 g/mol
LogP5.19
Rot. Bonds2

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

8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one (PubChem CID 67270610) has the molecular formula C20H11ClF2N2O and a molecular weight of 368.77 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
PubChem CID67270610
Molecular FormulaC20H11ClF2N2O
Molecular Weight368.77 g/mol
Exact Mass368.05
IUPAC Name8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
SMILESO=c1cc(-c2ccc(F)cc2F)c2ccnc(-c3ccccc3Cl)c2[nH]1
InChIInChI=1S/C20H11ClF2N2O/c21-16-4-2-1-3-14(16)19-20-13(7-8-24-19)15(10-18(26)25-20)12-6-5-11(22)9-17(12)23/h1-10H,(H,25,26)
InChIKeyBKHUAXXREOUNLF-UHFFFAOYSA-N
XLogP5.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.77
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one (CID 67270610) is 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one is O=c1cc(-c2ccc(F)cc2F)c2ccnc(-c3ccccc3Cl)c2[nH]1.
What is the InChIKey of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one?
The InChIKey is BKHUAXXREOUNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF2N2O/c21-16-4-2-1-3-14(16)19-20-13(7-8-24-19)15(10-18(26)25-20)12-6-5-11(22)9-17(12)23/h1-10H,(H,25,26).
What are the key properties of 8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one?
8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one has a molecular weight of 368.77 g/mol, XLogP of 5.19, 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)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 67270610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).