8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

C23H26FN5O3 — CID 129029965

IUPAC8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESC[C@H](Nc1cccc(F)c1)c1cc(C(=O)NCCO)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C23H26FN5O3/c1-15(27-18-4-2-3-17(24)13-18)19-11-16(23(31)25-5-8-30)12-20-22(19)28-21(14-26-20)29-6-9-32-10-7-29/h2-4,11-15,27,30H,5-10H2,1H3,(H,25,31)/t15-/m0/s1
InChIKeyZTTPIMYWVRADFY-HNNXBMFYSA-N
MW439.49 g/mol
LogP2.50
Rot. Bonds7

About 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 129029965) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID129029965
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESC[C@H](Nc1cccc(F)c1)c1cc(C(=O)NCCO)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C23H26FN5O3/c1-15(27-18-4-2-3-17(24)13-18)19-11-16(23(31)25-5-8-30)12-20-22(19)28-21(14-26-20)29-6-9-32-10-7-29/h2-4,11-15,27,30H,5-10H2,1H3,(H,25,31)/t15-/m0/s1
InChIKeyZTTPIMYWVRADFY-HNNXBMFYSA-N
XLogP2.50
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 129029965) is 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is C[C@H](Nc1cccc(F)c1)c1cc(C(=O)NCCO)cc2ncc(N3CCOCC3)nc12.
What is the InChIKey of 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is ZTTPIMYWVRADFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-15(27-18-4-2-3-17(24)13-18)19-11-16(23(31)25-5-8-30)12-20-22(19)28-21(14-26-20)29-6-9-32-10-7-29/h2-4,11-15,27,30H,5-10H2,1H3,(H,25,31)/t15-/m0/s1.
What are the key properties of 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 129029965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).