2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride

C20H19ClN6O — CID 134692171

IUPAC2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride
SMILESCl.NC(Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc2nccnc2c1
InChIInChI=1S/C20H18N6O.ClH/c21-16(10-14-12-24-17-4-2-1-3-15(14)17)20(27)26-25-11-13-5-6-18-19(9-13)23-8-7-22-18;/h1-9,11-12,16,24H,10,21H2,(H,26,27);1H/b25-11-;
InChIKeySFRGBDFQSLZYLF-RHZQEYACSA-N
MW394.87 g/mol
LogP2.55
Rot. Bonds5

About 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride

2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride (PubChem CID 134692171) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride
PubChem CID134692171
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride
SMILESCl.NC(Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc2nccnc2c1
InChIInChI=1S/C20H18N6O.ClH/c21-16(10-14-12-24-17-4-2-1-3-15(14)17)20(27)26-25-11-13-5-6-18-19(9-13)23-8-7-22-18;/h1-9,11-12,16,24H,10,21H2,(H,26,27);1H/b25-11-;
InChIKeySFRGBDFQSLZYLF-RHZQEYACSA-N
XLogP2.55
TPSA109.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-4-(1H-indol-3-yl)-1-(quinoxalin-6-ylmethylideneamino)butan-2-one
CID 149402501
tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate
CID 4292722
2-amino-3-methyl-N-[(E)-quinoxalin-6-ylmethylideneamino]butanamide;hydrochloride
CID 163331290
[(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride
CID 71965813
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide
CID 104919505
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzamide
CID 22691575
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 77043322
(2S)-2-amino-N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 59055370

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride (CID 134692171) is 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride is Cl.NC(Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc2nccnc2c1.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride?
The InChIKey is SFRGBDFQSLZYLF-RHZQEYACSA-N. The full InChI is InChI=1S/C20H18N6O.ClH/c21-16(10-14-12-24-17-4-2-1-3-15(14)17)20(27)26-25-11-13-5-6-18-19(9-13)23-8-7-22-18;/h1-9,11-12,16,24H,10,21H2,(H,26,27);1H/b25-11-;.
What are the key properties of 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride?
2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride has a molecular weight of 394.87 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride is sourced from PubChem (CID 134692171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).