8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide

C28H25FN4O5 — CID 89472692

IUPAC8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(OCCOc4ccc(C(=O)N5CCOCC5)cc4)c(F)c3)c2n1
InChIInChI=1S/C28H25FN4O5/c29-23-15-19(22-17-31-16-20-3-7-24(27(30)34)32-26(20)22)4-8-25(23)38-14-13-37-21-5-1-18(2-6-21)28(35)33-9-11-36-12-10-33/h1-8,15-17H,9-14H2,(H2,30,34)
InChIKeyRCYUBYKTEHTOHW-UHFFFAOYSA-N
MW516.53 g/mol
LogP3.46
Rot. Bonds8

About 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide

8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 89472692) has the molecular formula C28H25FN4O5 and a molecular weight of 516.53 g/mol. Its IUPAC name is 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID89472692
Molecular FormulaC28H25FN4O5
Molecular Weight516.53 g/mol
Exact Mass516.18
IUPAC Name8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(OCCOc4ccc(C(=O)N5CCOCC5)cc4)c(F)c3)c2n1
InChIInChI=1S/C28H25FN4O5/c29-23-15-19(22-17-31-16-20-3-7-24(27(30)34)32-26(20)22)4-8-25(23)38-14-13-37-21-5-1-18(2-6-21)28(35)33-9-11-36-12-10-33/h1-8,15-17H,9-14H2,(H2,30,34)
InChIKeyRCYUBYKTEHTOHW-UHFFFAOYSA-N
XLogP3.46
TPSA116.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide (CID 89472692) is 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide is NC(=O)c1ccc2cncc(-c3ccc(OCCOc4ccc(C(=O)N5CCOCC5)cc4)c(F)c3)c2n1.
What is the InChIKey of 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is RCYUBYKTEHTOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O5/c29-23-15-19(22-17-31-16-20-3-7-24(27(30)34)32-26(20)22)4-8-25(23)38-14-13-37-21-5-1-18(2-6-21)28(35)33-9-11-36-12-10-33/h1-8,15-17H,9-14H2,(H2,30,34).
What are the key properties of 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide?
8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 516.53 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenoxy]ethoxy]phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 89472692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).