2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate

C24H24N4O5 — CID 162247525

IUPAC2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate
SMILESC=CNC(=O)c1ccc2cncc(-c3ccc(OCCOC(=O)N4CCOCC4)cc3)c2n1
InChIInChI=1S/C24H24N4O5/c1-2-26-23(29)21-8-5-18-15-25-16-20(22(18)27-21)17-3-6-19(7-4-17)32-13-14-33-24(30)28-9-11-31-12-10-28/h2-8,15-16H,1,9-14H2,(H,26,29)
InChIKeyZXNPQJKOPQYFCA-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.02
Rot. Bonds7

About 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate

2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate (PubChem CID 162247525) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate.

Molecular Properties

Compound Name2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate
PubChem CID162247525
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate
SMILESC=CNC(=O)c1ccc2cncc(-c3ccc(OCCOC(=O)N4CCOCC4)cc3)c2n1
InChIInChI=1S/C24H24N4O5/c1-2-26-23(29)21-8-5-18-15-25-16-20(22(18)27-21)17-3-6-19(7-4-17)32-13-14-33-24(30)28-9-11-31-12-10-28/h2-8,15-16H,1,9-14H2,(H,26,29)
InChIKeyZXNPQJKOPQYFCA-UHFFFAOYSA-N
XLogP3.02
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.02
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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Related Compounds

ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate
CID 66730470
[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 118077777
[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46066040
2-[7-(5-fluoro-3-pyridinyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172667855
2-trimethylsilylethyl 4-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]isoquinoline-6-carboxylate
CID 66730455
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
CID 61028358
2-[6-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172662683
[6-[3-[4-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 71242961
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide
CID 98007458
2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 143341161
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide;dihydrochloride
CID 163320860

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate?
The IUPAC name of 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate (CID 162247525) is 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate.
What is the SMILES notation for 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate?
The canonical SMILES for 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate is C=CNC(=O)c1ccc2cncc(-c3ccc(OCCOC(=O)N4CCOCC4)cc3)c2n1.
What is the InChIKey of 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate?
The InChIKey is ZXNPQJKOPQYFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-2-26-23(29)21-8-5-18-15-25-16-20(22(18)27-21)17-3-6-19(7-4-17)32-13-14-33-24(30)28-9-11-31-12-10-28/h2-8,15-16H,1,9-14H2,(H,26,29).
What are the key properties of 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate?
2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate has a molecular weight of 448.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate is sourced from PubChem (CID 162247525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).