N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine

C21H15ClN4S — CID 7201323

IUPACN-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine
SMILESClc1ccc(C=NNc2nc3ccccc3nc2/C=C/c2cccs2)cc1
InChIInChI=1S/C21H15ClN4S/c22-16-9-7-15(8-10-16)14-23-26-21-20(12-11-17-4-3-13-27-17)24-18-5-1-2-6-19(18)25-21/h1-14H,(H,25,26)/b12-11+,23-14?
InChIKeyGIFYJXNBBNDPBE-KOTOMXDRSA-N
MW390.90 g/mol
LogP5.96
Rot. Bonds5

About N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine

N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine (PubChem CID 7201323) has the molecular formula C21H15ClN4S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine
PubChem CID7201323
Molecular FormulaC21H15ClN4S
Molecular Weight390.90 g/mol
Exact Mass390.07
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine
SMILESClc1ccc(C=NNc2nc3ccccc3nc2/C=C/c2cccs2)cc1
InChIInChI=1S/C21H15ClN4S/c22-16-9-7-15(8-10-16)14-23-26-21-20(12-11-17-4-3-13-27-17)24-18-5-1-2-6-19(18)25-21/h1-14H,(H,25,26)/b12-11+,23-14?
InChIKeyGIFYJXNBBNDPBE-KOTOMXDRSA-N
XLogP5.96
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 55.96
H-Bond Donors ≤ 51
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

N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 3835429
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
3-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]quinoxalin-2-amine
CID 3292221
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
CID 5160943
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate
CID 56725889
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
3-chloro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 56725881
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline
CID 18149996
3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine
CID 52949864

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine (CID 7201323) is N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine is Clc1ccc(C=NNc2nc3ccccc3nc2/C=C/c2cccs2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine?
The InChIKey is GIFYJXNBBNDPBE-KOTOMXDRSA-N. The full InChI is InChI=1S/C21H15ClN4S/c22-16-9-7-15(8-10-16)14-23-26-21-20(12-11-17-4-3-13-27-17)24-18-5-1-2-6-19(18)25-21/h1-14H,(H,25,26)/b12-11+,23-14?.
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine?
N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine has a molecular weight of 390.90 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine is sourced from PubChem (CID 7201323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).