2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C23H24FN5O — CID 23761862

IUPAC2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCCCn1c(N)c(C(=O)NCCc2ccccc2F)c2nc3ccccc3nc21
InChIInChI=1S/C23H24FN5O/c1-2-3-14-29-21(25)19(20-22(29)28-18-11-7-6-10-17(18)27-20)23(30)26-13-12-15-8-4-5-9-16(15)24/h4-11H,2-3,12-14,25H2,1H3,(H,26,30)
InChIKeyYFVDRLHEYOISNK-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.08
Rot. Bonds7

About 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 23761862) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID23761862
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCCCn1c(N)c(C(=O)NCCc2ccccc2F)c2nc3ccccc3nc21
InChIInChI=1S/C23H24FN5O/c1-2-3-14-29-21(25)19(20-22(29)28-18-11-7-6-10-17(18)27-20)23(30)26-13-12-15-8-4-5-9-16(15)24/h4-11H,2-3,12-14,25H2,1H3,(H,26,30)
InChIKeyYFVDRLHEYOISNK-UHFFFAOYSA-N
XLogP4.08
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-dodecyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3723011
2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 4203658
2-amino-N,1-bis(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2015264
2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3746635
2-amino-1-pentyl-N-(4-phenylbutan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3987179
2-amino-N,1-bis(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2037496
pentyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2384054
butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2295570
2-amino-N-(3-methylbutyl)-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2034456
hexyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3721919
heptyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4294624
2-amino-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23764711

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 23761862) is 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is CCCCn1c(N)c(C(=O)NCCc2ccccc2F)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is YFVDRLHEYOISNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-2-3-14-29-21(25)19(20-22(29)28-18-11-7-6-10-17(18)27-20)23(30)26-13-12-15-8-4-5-9-16(15)24/h4-11H,2-3,12-14,25H2,1H3,(H,26,30).
What are the key properties of 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 23761862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).