2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide

C21H27N5O — CID 3742039

IUPAC2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCC(C)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
InChIInChI=1S/C21H27N5O/c1-3-13(2)23-21(27)17-18-20(25-16-12-8-7-11-15(16)24-18)26(19(17)22)14-9-5-4-6-10-14/h7-8,11-14H,3-6,9-10,22H2,1-2H3,(H,23,27)
InChIKeyGKUHOBMMALOGKZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.20
Rot. Bonds4

About 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 3742039) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID3742039
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCC(C)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
InChIInChI=1S/C21H27N5O/c1-3-13(2)23-21(27)17-18-20(25-16-12-8-7-11-15(16)24-18)26(19(17)22)14-9-5-4-6-10-14/h7-8,11-14H,3-6,9-10,22H2,1-2H3,(H,23,27)
InChIKeyGKUHOBMMALOGKZ-UHFFFAOYSA-N
XLogP4.20
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 3742039) is 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide is CCC(C)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is GKUHOBMMALOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-3-13(2)23-21(27)17-18-20(25-16-12-8-7-11-15(16)24-18)26(19(17)22)14-9-5-4-6-10-14/h7-8,11-14H,3-6,9-10,22H2,1-2H3,(H,23,27).
What are the key properties of 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 3742039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).