7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one

C26H15ClF2N4O2 — CID 171098869

IUPAC7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESO=C1c2ncccc2CCN1c1nc(-c2cnc3c(F)cccc3c2)oc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C26H15ClF2N4O2/c27-18-7-6-16(12-20(18)29)23-24(33-10-8-14-4-2-9-30-22(14)26(33)34)32-25(35-23)17-11-15-3-1-5-19(28)21(15)31-13-17/h1-7,9,11-13H,8,10H2
InChIKeyPABKNXQJKRQSOD-UHFFFAOYSA-N
MW488.88 g/mol
LogP6.09
Rot. Bonds3

About 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one

7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 171098869) has the molecular formula C26H15ClF2N4O2 and a molecular weight of 488.88 g/mol. Its IUPAC name is 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID171098869
Molecular FormulaC26H15ClF2N4O2
Molecular Weight488.88 g/mol
Exact Mass488.09
IUPAC Name7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESO=C1c2ncccc2CCN1c1nc(-c2cnc3c(F)cccc3c2)oc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C26H15ClF2N4O2/c27-18-7-6-16(12-20(18)29)23-24(33-10-8-14-4-2-9-30-22(14)26(33)34)32-25(35-23)17-11-15-3-1-5-19(28)21(15)31-13-17/h1-7,9,11-13H,8,10H2
InChIKeyPABKNXQJKRQSOD-UHFFFAOYSA-N
XLogP6.09
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.88
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one?
The IUPAC name of 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one (CID 171098869) is 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one is O=C1c2ncccc2CCN1c1nc(-c2cnc3c(F)cccc3c2)oc1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is PABKNXQJKRQSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClF2N4O2/c27-18-7-6-16(12-20(18)29)23-24(33-10-8-14-4-2-9-30-22(14)26(33)34)32-25(35-23)17-11-15-3-1-5-19(28)21(15)31-13-17/h1-7,9,11-13H,8,10H2.
What are the key properties of 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one?
7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 488.88 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 171098869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).