7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide

C21H22FN3O2 — CID 55823828

IUPAC7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide
SMILESCc1cccc(OCCCNC(=O)c2cc(F)cc3nc(C)c(C)nc23)c1
InChIInChI=1S/C21H22FN3O2/c1-13-6-4-7-17(10-13)27-9-5-8-23-21(26)18-11-16(22)12-19-20(18)25-15(3)14(2)24-19/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,23,26)
InChIKeyFODMTRADAZONQN-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.89
Rot. Bonds6

About 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide

7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide (PubChem CID 55823828) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide
PubChem CID55823828
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide
SMILESCc1cccc(OCCCNC(=O)c2cc(F)cc3nc(C)c(C)nc23)c1
InChIInChI=1S/C21H22FN3O2/c1-13-6-4-7-17(10-13)27-9-5-8-23-21(26)18-11-16(22)12-19-20(18)25-15(3)14(2)24-19/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,23,26)
InChIKeyFODMTRADAZONQN-UHFFFAOYSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide
CID 55853865
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[2-(3-methylphenoxy)ethyl]isoquinoline-4-carboxamide
CID 166186678
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
CID 46975779
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62235691
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide (CID 55823828) is 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide is Cc1cccc(OCCCNC(=O)c2cc(F)cc3nc(C)c(C)nc23)c1.
What is the InChIKey of 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide?
The InChIKey is FODMTRADAZONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13-6-4-7-17(10-13)27-9-5-8-23-21(26)18-11-16(22)12-19-20(18)25-15(3)14(2)24-19/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,23,26).
What are the key properties of 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide?
7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 55823828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).