N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide

C38H37FN6O6 — CID 90643909

IUPACN-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2nc3ccccc3[nH]c2=O)CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1
InChIInChI=1S/C38H37FN6O6/c39-25-20-31(35(47)41-26-8-10-27(11-9-26)42-36(48)34-37(49)44-33-7-2-1-6-32(33)43-34)38(40-21-25)51-29-5-3-4-23(19-29)30-13-12-28(46)18-24(30)22-45-14-16-50-17-15-45/h1-7,12-13,18-21,26-27,46H,8-11,14-17,22H2,(H,41,47)(H,42,48)(H,44,49)
InChIKeyLPUHBMMPHHFHAH-UHFFFAOYSA-N
MW692.75 g/mol
LogP4.93
Rot. Bonds9

About N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide

N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 90643909) has the molecular formula C38H37FN6O6 and a molecular weight of 692.75 g/mol. Its IUPAC name is N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID90643909
Molecular FormulaC38H37FN6O6
Molecular Weight692.75 g/mol
Exact Mass692.28
IUPAC NameN-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2nc3ccccc3[nH]c2=O)CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1
InChIInChI=1S/C38H37FN6O6/c39-25-20-31(35(47)41-26-8-10-27(11-9-26)42-36(48)34-37(49)44-33-7-2-1-6-32(33)43-34)38(40-21-25)51-29-5-3-4-23(19-29)30-13-12-28(46)18-24(30)22-45-14-16-50-17-15-45/h1-7,12-13,18-21,26-27,46H,8-11,14-17,22H2,(H,41,47)(H,42,48)(H,44,49)
InChIKeyLPUHBMMPHHFHAH-UHFFFAOYSA-N
XLogP4.93
TPSA158.77 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500692.75
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide (CID 90643909) is N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide is O=C(NC1CCC(NC(=O)c2nc3ccccc3[nH]c2=O)CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1.
What is the InChIKey of N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is LPUHBMMPHHFHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37FN6O6/c39-25-20-31(35(47)41-26-8-10-27(11-9-26)42-36(48)34-37(49)44-33-7-2-1-6-32(33)43-34)38(40-21-25)51-29-5-3-4-23(19-29)30-13-12-28(46)18-24(30)22-45-14-16-50-17-15-45/h1-7,12-13,18-21,26-27,46H,8-11,14-17,22H2,(H,41,47)(H,42,48)(H,44,49).
What are the key properties of N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide?
N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 692.75 g/mol, XLogP of 4.93, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 90643909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).