3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one

C28H25FN4O2 — CID 19886419

IUPAC3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one
SMILESCC(c1cc2cccnc2n(-c2ccccc2)c1=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C28H25FN4O2/c1-18(32-14-11-19(12-15-32)26-23-10-9-21(29)17-25(23)35-31-26)24-16-20-6-5-13-30-27(20)33(28(24)34)22-7-3-2-4-8-22/h2-10,13,16-19H,11-12,14-15H2,1H3
InChIKeyNWDMWNTWCGCPOI-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.61
Rot. Bonds4

About 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one

3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 19886419) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one
PubChem CID19886419
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one
SMILESCC(c1cc2cccnc2n(-c2ccccc2)c1=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C28H25FN4O2/c1-18(32-14-11-19(12-15-32)26-23-10-9-21(29)17-25(23)35-31-26)24-16-20-6-5-13-30-27(20)33(28(24)34)22-7-3-2-4-8-22/h2-10,13,16-19H,11-12,14-15H2,1H3
InChIKeyNWDMWNTWCGCPOI-UHFFFAOYSA-N
XLogP5.61
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one (CID 19886419) is 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one is CC(c1cc2cccnc2n(-c2ccccc2)c1=O)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is NWDMWNTWCGCPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-18(32-14-11-19(12-15-32)26-23-10-9-21(29)17-25(23)35-31-26)24-16-20-6-5-13-30-27(20)33(28(24)34)22-7-3-2-4-8-22/h2-10,13,16-19H,11-12,14-15H2,1H3.
What are the key properties of 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one?
3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 468.53 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 19886419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).