6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide

C28H31FN4O4 — CID 167499613

IUPAC6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
SMILESC[C@H]1COCCN1CCn1c(=O)c(C(=O)NC2CC3(CC3)C2)c(O)c2cc(-c3ccc(F)cc3)cnc21
InChIInChI=1S/C28H31FN4O4/c1-17-16-37-11-10-32(17)8-9-33-25-22(12-19(15-30-25)18-2-4-20(29)5-3-18)24(34)23(27(33)36)26(35)31-21-13-28(14-21)6-7-28/h2-5,12,15,17,21,34H,6-11,13-14,16H2,1H3,(H,31,35)/t17-/m0/s1
InChIKeyDWBPANGONBOIIA-KRWDZBQOSA-N
MW506.58 g/mol
LogP3.30
Rot. Bonds6

About 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide

6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 167499613) has the molecular formula C28H31FN4O4 and a molecular weight of 506.58 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
PubChem CID167499613
Molecular FormulaC28H31FN4O4
Molecular Weight506.58 g/mol
Exact Mass506.23
IUPAC Name6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
SMILESC[C@H]1COCCN1CCn1c(=O)c(C(=O)NC2CC3(CC3)C2)c(O)c2cc(-c3ccc(F)cc3)cnc21
InChIInChI=1S/C28H31FN4O4/c1-17-16-37-11-10-32(17)8-9-33-25-22(12-19(15-30-25)18-2-4-20(29)5-3-18)24(34)23(27(33)36)26(35)31-21-13-28(14-21)6-7-28/h2-5,12,15,17,21,34H,6-11,13-14,16H2,1H3,(H,31,35)/t17-/m0/s1
InChIKeyDWBPANGONBOIIA-KRWDZBQOSA-N
XLogP3.30
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide (CID 167499613) is 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide is C[C@H]1COCCN1CCn1c(=O)c(C(=O)NC2CC3(CC3)C2)c(O)c2cc(-c3ccc(F)cc3)cnc21.
What is the InChIKey of 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is DWBPANGONBOIIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H31FN4O4/c1-17-16-37-11-10-32(17)8-9-33-25-22(12-19(15-30-25)18-2-4-20(29)5-3-18)24(34)23(27(33)36)26(35)31-21-13-28(14-21)6-7-28/h2-5,12,15,17,21,34H,6-11,13-14,16H2,1H3,(H,31,35)/t17-/m0/s1.
What are the key properties of 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167499613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).