3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide

C21H19ClN4O — CID 58137998

IUPAC3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide
SMILESNC(CC(=O)NCc1nc2ccccc2n2cccc12)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O/c22-15-9-7-14(8-10-15)16(23)12-21(27)24-13-18-20-6-3-11-26(20)19-5-2-1-4-17(19)25-18/h1-11,16H,12-13,23H2,(H,24,27)
InChIKeyKDJSRNZHVGCNSH-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.85
Rot. Bonds5

About 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide

3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide (PubChem CID 58137998) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide
PubChem CID58137998
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide
SMILESNC(CC(=O)NCc1nc2ccccc2n2cccc12)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O/c22-15-9-7-14(8-10-15)16(23)12-21(27)24-13-18-20-6-3-11-26(20)19-5-2-1-4-17(19)25-18/h1-11,16H,12-13,23H2,(H,24,27)
InChIKeyKDJSRNZHVGCNSH-UHFFFAOYSA-N
XLogP3.85
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
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3-amino-3-(4-chlorophenyl)-N'-methylpropanehydrazide
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(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide
CID 25406903
N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
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3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106896210
(3S)-3-amino-3-(4-chlorophenyl)propanamide
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(3S)-3-(4-chlorophenyl)-4-pyrrol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
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(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
CID 97266337
N-[(4-chlorophenyl)methyl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide (CID 58137998) is 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide is NC(CC(=O)NCc1nc2ccccc2n2cccc12)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide?
The InChIKey is KDJSRNZHVGCNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-15-9-7-14(8-10-15)16(23)12-21(27)24-13-18-20-6-3-11-26(20)19-5-2-1-4-17(19)25-18/h1-11,16H,12-13,23H2,(H,24,27).
What are the key properties of 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide?
3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide has a molecular weight of 378.86 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide is sourced from PubChem (CID 58137998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).