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

C25H29FN4O4 — CID 166831389

IUPACN-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C25H29FN4O4/c1-25(2,3)28-23(32)20-21(31)19-14-17(16-4-6-18(26)7-5-16)15-27-22(19)30(24(20)33)9-8-29-10-12-34-13-11-29/h4-7,14-15,31H,8-13H2,1-3H3,(H,28,32)
InChIKeyULOFNBCGMAURJH-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.77
Rot. Bonds5

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

N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831389) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831389
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC NameN-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C25H29FN4O4/c1-25(2,3)28-23(32)20-21(31)19-14-17(16-4-6-18(26)7-5-16)15-27-22(19)30(24(20)33)9-8-29-10-12-34-13-11-29/h4-7,14-15,31H,8-13H2,1-3H3,(H,28,32)
InChIKeyULOFNBCGMAURJH-UHFFFAOYSA-N
XLogP2.77
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831389) is N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(C)NC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ULOFNBCGMAURJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-25(2,3)28-23(32)20-21(31)19-14-17(16-4-6-18(26)7-5-16)15-27-22(19)30(24(20)33)9-8-29-10-12-34-13-11-29/h4-7,14-15,31H,8-13H2,1-3H3,(H,28,32).
What are the key properties of N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).