6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C29H28F2N4O4 — CID 166831349

IUPAC6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C29H28F2N4O4/c1-18(19-2-6-22(30)7-3-19)33-28(37)25-26(36)24-16-21(20-4-8-23(31)9-5-20)17-32-27(24)35(29(25)38)11-10-34-12-14-39-15-13-34/h2-9,16-18,36H,10-15H2,1H3,(H,33,37)
InChIKeyJOBVRVMYXVWGPD-UHFFFAOYSA-N
MW534.56 g/mol
LogP3.87
Rot. Bonds7

About 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831349) has the molecular formula C29H28F2N4O4 and a molecular weight of 534.56 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831349
Molecular FormulaC29H28F2N4O4
Molecular Weight534.56 g/mol
Exact Mass534.21
IUPAC Name6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C29H28F2N4O4/c1-18(19-2-6-22(30)7-3-19)33-28(37)25-26(36)24-16-21(20-4-8-23(31)9-5-20)17-32-27(24)35(29(25)38)11-10-34-12-14-39-15-13-34/h2-9,16-18,36H,10-15H2,1H3,(H,33,37)
InChIKeyJOBVRVMYXVWGPD-UHFFFAOYSA-N
XLogP3.87
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.56
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831349) is 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is JOBVRVMYXVWGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N4O4/c1-18(19-2-6-22(30)7-3-19)33-28(37)25-26(36)24-16-21(20-4-8-23(31)9-5-20)17-32-27(24)35(29(25)38)11-10-34-12-14-39-15-13-34/h2-9,16-18,36H,10-15H2,1H3,(H,33,37).
What are the key properties of 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 534.56 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).