1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone

C17H13N5O — CID 21044764

IUPAC1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc3nc4ccccc4nc3[nH]2)cc1
InChIInChI=1S/C17H13N5O/c1-10(23)11-6-8-12(9-7-11)18-17-21-15-16(22-17)20-14-5-3-2-4-13(14)19-15/h2-9H,1H3,(H2,18,19,20,21,22)
InChIKeyQOWFPYWYDRCPQN-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.45
Rot. Bonds3

About 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone

1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone (PubChem CID 21044764) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone
PubChem CID21044764
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc3nc4ccccc4nc3[nH]2)cc1
InChIInChI=1S/C17H13N5O/c1-10(23)11-6-8-12(9-7-11)18-17-21-15-16(22-17)20-14-5-3-2-4-13(14)19-15/h2-9H,1H3,(H2,18,19,20,21,22)
InChIKeyQOWFPYWYDRCPQN-UHFFFAOYSA-N
XLogP3.45
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734
2-(4-tert-butylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563058
ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone
CID 143641192
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea
CID 2393320
2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 66587024
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
CID 101429158
1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 52996217

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone (CID 21044764) is 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone is CC(=O)c1ccc(Nc2nc3nc4ccccc4nc3[nH]2)cc1.
What is the InChIKey of 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone?
The InChIKey is QOWFPYWYDRCPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-10(23)11-6-8-12(9-7-11)18-17-21-15-16(22-17)20-14-5-3-2-4-13(14)19-15/h2-9H,1H3,(H2,18,19,20,21,22).
What are the key properties of 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone?
1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone has a molecular weight of 303.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone is sourced from PubChem (CID 21044764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).