(3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one

C21H19N5O — CID 149402501

IUPAC(3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)C/N=C/c1ccc2nccnc2c1
InChIInChI=1S/C21H19N5O/c22-17(10-15-12-26-18-4-2-1-3-16(15)18)21(27)13-23-11-14-5-6-19-20(9-14)25-8-7-24-19/h1-9,11-12,17,26H,10,13,22H2/b23-11+/t17-/m1/s1
InChIKeyYPRBQWCYDZBMDD-TVSCDJBNSA-N
MW357.42 g/mol
LogP2.67
Rot. Bonds6

About (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one

(3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one (PubChem CID 149402501) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one
PubChem CID149402501
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name(3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)C/N=C/c1ccc2nccnc2c1
InChIInChI=1S/C21H19N5O/c22-17(10-15-12-26-18-4-2-1-3-16(15)18)21(27)13-23-11-14-5-6-19-20(9-14)25-8-7-24-19/h1-9,11-12,17,26H,10,13,22H2/b23-11+/t17-/m1/s1
InChIKeyYPRBQWCYDZBMDD-TVSCDJBNSA-N
XLogP2.67
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride
CID 134692171
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(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
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(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
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CID 70188356
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
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2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
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trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
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tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)
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ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one?
The IUPAC name of (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one (CID 149402501) is (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one.
What is the SMILES notation for (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one?
The canonical SMILES for (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one is N[C@H](Cc1c[nH]c2ccccc12)C(=O)C/N=C/c1ccc2nccnc2c1.
What is the InChIKey of (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one?
The InChIKey is YPRBQWCYDZBMDD-TVSCDJBNSA-N. The full InChI is InChI=1S/C21H19N5O/c22-17(10-15-12-26-18-4-2-1-3-16(15)18)21(27)13-23-11-14-5-6-19-20(9-14)25-8-7-24-19/h1-9,11-12,17,26H,10,13,22H2/b23-11+/t17-/m1/s1.
What are the key properties of (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one?
(3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one has a molecular weight of 357.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one is sourced from PubChem (CID 149402501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).