N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

C25H27FN6O2 — CID 144948965

IUPACN-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILES[H]/N=C/C(=C\N)CCCNC(=O)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H27FN6O2/c26-20-6-3-18(4-7-20)23-24(32-10-12-34-13-11-32)31-21-8-5-19(14-22(21)30-23)25(33)29-9-1-2-17(15-27)16-28/h3-8,14-16,27H,1-2,9-13,28H2,(H,29,33)/b17-16-,27-15+
InChIKeyOZTUCTUGXWRXMC-PZPRAILTSA-N
MW462.53 g/mol
LogP3.27
Rot. Bonds8

About N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 144948965) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID144948965
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC NameN-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILES[H]/N=C/C(=C\N)CCCNC(=O)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H27FN6O2/c26-20-6-3-18(4-7-20)23-24(32-10-12-34-13-11-32)31-21-8-5-19(14-22(21)30-23)25(33)29-9-1-2-17(15-27)16-28/h3-8,14-16,27H,1-2,9-13,28H2,(H,29,33)/b17-16-,27-15+
InChIKeyOZTUCTUGXWRXMC-PZPRAILTSA-N
XLogP3.27
TPSA117.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 144948965) is N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is [H]/N=C/C(=C\N)CCCNC(=O)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is OZTUCTUGXWRXMC-PZPRAILTSA-N. The full InChI is InChI=1S/C25H27FN6O2/c26-20-6-3-18(4-7-20)23-24(32-10-12-34-13-11-32)31-21-8-5-19(14-22(21)30-23)25(33)29-9-1-2-17(15-27)16-28/h3-8,14-16,27H,1-2,9-13,28H2,(H,29,33)/b17-16-,27-15+.
What are the key properties of N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 144948965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).