N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C23H27FN4O7 — CID 54717400

IUPACN-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1OCC(=O)N1CCOCC1)c(O)c2=O
InChIInChI=1S/C23H27FN4O7/c1-23(2)22-26-18(19(30)21(32)28(22)7-10-35-23)20(31)25-12-14-3-4-15(24)11-16(14)34-13-17(29)27-5-8-33-9-6-27/h3-4,11,30H,5-10,12-13H2,1-2H3,(H,25,31)
InChIKeyOGGYGPSZEDOOIE-UHFFFAOYSA-N
MW490.49 g/mol
LogP0.52
Rot. Bonds6

About N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717400) has the molecular formula C23H27FN4O7 and a molecular weight of 490.49 g/mol. Its IUPAC name is N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717400
Molecular FormulaC23H27FN4O7
Molecular Weight490.49 g/mol
Exact Mass490.19
IUPAC NameN-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1OCC(=O)N1CCOCC1)c(O)c2=O
InChIInChI=1S/C23H27FN4O7/c1-23(2)22-26-18(19(30)21(32)28(22)7-10-35-23)20(31)25-12-14-3-4-15(24)11-16(14)34-13-17(29)27-5-8-33-9-6-27/h3-4,11,30H,5-10,12-13H2,1-2H3,(H,25,31)
InChIKeyOGGYGPSZEDOOIE-UHFFFAOYSA-N
XLogP0.52
TPSA132.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717400) is N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1OCC(=O)N1CCOCC1)c(O)c2=O.
What is the InChIKey of N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is OGGYGPSZEDOOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O7/c1-23(2)22-26-18(19(30)21(32)28(22)7-10-35-23)20(31)25-12-14-3-4-15(24)11-16(14)34-13-17(29)27-5-8-33-9-6-27/h3-4,11,30H,5-10,12-13H2,1-2H3,(H,25,31).
What are the key properties of N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).