6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C25H29FN4O5 — CID 166831220

IUPAC6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C25H29FN4O5/c1-25(2,15-31)28-23(33)20-21(32)19-13-17(16-3-5-18(26)6-4-16)14-27-22(19)30(24(20)34)8-7-29-9-11-35-12-10-29/h3-6,13-14,31-32H,7-12,15H2,1-2H3,(H,28,33)
InChIKeyXQBFMZCPUPXOTJ-UHFFFAOYSA-N
MW484.53 g/mol
LogP1.74
Rot. Bonds7

About 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831220) has the molecular formula C25H29FN4O5 and a molecular weight of 484.53 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831220
Molecular FormulaC25H29FN4O5
Molecular Weight484.53 g/mol
Exact Mass484.21
IUPAC Name6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C25H29FN4O5/c1-25(2,15-31)28-23(33)20-21(32)19-13-17(16-3-5-18(26)6-4-16)14-27-22(19)30(24(20)34)8-7-29-9-11-35-12-10-29/h3-6,13-14,31-32H,7-12,15H2,1-2H3,(H,28,33)
InChIKeyXQBFMZCPUPXOTJ-UHFFFAOYSA-N
XLogP1.74
TPSA116.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831220) is 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(CO)NC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XQBFMZCPUPXOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O5/c1-25(2,15-31)28-23(33)20-21(32)19-13-17(16-3-5-18(26)6-4-16)14-27-22(19)30(24(20)34)8-7-29-9-11-35-12-10-29/h3-6,13-14,31-32H,7-12,15H2,1-2H3,(H,28,33).
What are the key properties of 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).