7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one

C28H19FN4O3 — CID 171098883

IUPAC7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1-c1nc(-c2ccc3c(CCO)nccc3c2)oc1-c1ccc(F)cc1
InChIInChI=1S/C28H19FN4O3/c29-21-6-3-18(4-7-21)25-26(33-14-10-17-2-1-12-31-24(17)28(33)35)32-27(36-25)20-5-8-22-19(16-20)9-13-30-23(22)11-15-34/h1-10,12-14,16,34H,11,15H2
InChIKeyVCBAJPFKUHJKJK-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.93
Rot. Bonds5

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

7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one (PubChem CID 171098883) has the molecular formula C28H19FN4O3 and a molecular weight of 478.48 g/mol. Its IUPAC name is 7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
PubChem CID171098883
Molecular FormulaC28H19FN4O3
Molecular Weight478.48 g/mol
Exact Mass478.14
IUPAC Name7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1-c1nc(-c2ccc3c(CCO)nccc3c2)oc1-c1ccc(F)cc1
InChIInChI=1S/C28H19FN4O3/c29-21-6-3-18(4-7-21)25-26(33-14-10-17-2-1-12-31-24(17)28(33)35)32-27(36-25)20-5-8-22-19(16-20)9-13-30-23(22)11-15-34/h1-10,12-14,16,34H,11,15H2
InChIKeyVCBAJPFKUHJKJK-UHFFFAOYSA-N
XLogP4.93
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one?
The IUPAC name of 7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one (CID 171098883) is 7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one is O=c1c2ncccc2ccn1-c1nc(-c2ccc3c(CCO)nccc3c2)oc1-c1ccc(F)cc1.
What is the InChIKey of 7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one?
The InChIKey is VCBAJPFKUHJKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN4O3/c29-21-6-3-18(4-7-21)25-26(33-14-10-17-2-1-12-31-24(17)28(33)35)32-27(36-25)20-5-8-22-19(16-20)9-13-30-23(22)11-15-34/h1-10,12-14,16,34H,11,15H2.
What are the key properties of 7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one?
7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one has a molecular weight of 478.48 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one is sourced from PubChem (CID 171098883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).