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

C22H19N5O — CID 3704961

IUPACN-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide
SMILESCCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C(C)c1ccccc1
InChIInChI=1S/C22H19N5O/c1-3-19(28)26-21-16(13-23)20-22(25-18-12-8-7-11-17(18)24-20)27(21)14(2)15-9-5-4-6-10-15/h4-12,14H,3H2,1-2H3,(H,26,28)
InChIKeyJCCSEKPIOMAARE-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.41
Rot. Bonds4

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

N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide (PubChem CID 3704961) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide
PubChem CID3704961
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide
SMILESCCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C(C)c1ccccc1
InChIInChI=1S/C22H19N5O/c1-3-19(28)26-21-16(13-23)20-22(25-18-12-8-7-11-17(18)24-20)27(21)14(2)15-9-5-4-6-10-15/h4-12,14H,3H2,1-2H3,(H,26,28)
InChIKeyJCCSEKPIOMAARE-UHFFFAOYSA-N
XLogP4.41
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-butan-2-yl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)benzamide
CID 4101144
N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide
CID 658936
N-(3-cyano-1-octan-3-ylpyrrolo[3,2-b]quinoxalin-2-yl)-4-fluorobenzamide
CID 3876728
N-[3-(benzenesulfonyl)-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide
CID 3829586
pentyl 2-amino-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2340634
N-[3-cyano-1-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydroindol-2-yl]benzamide
CID 10499341
N-[3-cyano-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-phenylprop-2-enamide
CID 3787991
N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
CID 987567
N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
CID 3838457
5-bromo-N-[3-cyano-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
CID 2328276
ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 23732155
N-(3-cyano-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide
CID 2377801

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide?
The IUPAC name of N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide (CID 3704961) is N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide.
What is the SMILES notation for N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide?
The canonical SMILES for N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide is CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C(C)c1ccccc1.
What is the InChIKey of N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide?
The InChIKey is JCCSEKPIOMAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-3-19(28)26-21-16(13-23)20-22(25-18-12-8-7-11-17(18)24-20)27(21)14(2)15-9-5-4-6-10-15/h4-12,14H,3H2,1-2H3,(H,26,28).
What are the key properties of N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide?
N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide has a molecular weight of 369.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide is sourced from PubChem (CID 3704961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).