6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide

C24H21FN4O6 — CID 54748813

IUPAC6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)C=C(C(=O)N1CCOCC1)O3
InChIInChI=1S/C24H21FN4O6/c1-26-22(31)17-20(30)18-19-21(14(11-27-18)10-13-2-4-15(25)5-3-13)35-16(12-29(19)24(17)33)23(32)28-6-8-34-9-7-28/h2-5,11-12,30H,6-10H2,1H3,(H,26,31)
InChIKeyJKGIDCNUVNSBKI-UHFFFAOYSA-N
MW480.45 g/mol
LogP1.24
Rot. Bonds4

About 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide

6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide (PubChem CID 54748813) has the molecular formula C24H21FN4O6 and a molecular weight of 480.45 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide
PubChem CID54748813
Molecular FormulaC24H21FN4O6
Molecular Weight480.45 g/mol
Exact Mass480.14
IUPAC Name6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)C=C(C(=O)N1CCOCC1)O3
InChIInChI=1S/C24H21FN4O6/c1-26-22(31)17-20(30)18-19-21(14(11-27-18)10-13-2-4-15(25)5-3-13)35-16(12-29(19)24(17)33)23(32)28-6-8-34-9-7-28/h2-5,11-12,30H,6-10H2,1H3,(H,26,31)
InChIKeyJKGIDCNUVNSBKI-UHFFFAOYSA-N
XLogP1.24
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide (CID 54748813) is 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide is CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)C=C(C(=O)N1CCOCC1)O3.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide?
The InChIKey is JKGIDCNUVNSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O6/c1-26-22(31)17-20(30)18-19-21(14(11-27-18)10-13-2-4-15(25)5-3-13)35-16(12-29(19)24(17)33)23(32)28-6-8-34-9-7-28/h2-5,11-12,30H,6-10H2,1H3,(H,26,31).
What are the key properties of 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide?
6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-3-(morpholine-4-carbonyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-11-carboxamide is sourced from PubChem (CID 54748813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).