N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide

C20H21N5O — CID 658936

IUPACN-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide
SMILESCCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C1CCCCC1
InChIInChI=1S/C20H21N5O/c1-2-17(26)24-19-14(12-21)18-20(25(19)13-8-4-3-5-9-13)23-16-11-7-6-10-15(16)22-18/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,24,26)
InChIKeyCJPOEPRRYSQVIK-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.31
Rot. Bonds3

About N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide

N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide (PubChem CID 658936) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide
PubChem CID658936
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide
SMILESCCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C1CCCCC1
InChIInChI=1S/C20H21N5O/c1-2-17(26)24-19-14(12-21)18-20(25(19)13-8-4-3-5-9-13)23-16-11-7-6-10-15(16)22-18/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,24,26)
InChIKeyCJPOEPRRYSQVIK-UHFFFAOYSA-N
XLogP4.31
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide?
The IUPAC name of N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide (CID 658936) is N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide?
The canonical SMILES for N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide is CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C1CCCCC1.
What is the InChIKey of N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide?
The InChIKey is CJPOEPRRYSQVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-17(26)24-19-14(12-21)18-20(25(19)13-8-4-3-5-9-13)23-16-11-7-6-10-15(16)22-18/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,24,26).
What are the key properties of N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide?
N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide is sourced from PubChem (CID 658936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).