4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide

C17H15BrN4O2 — CID 15524209

IUPAC4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)N(CC(=O)c1ccc(Br)cc1)C(=O)CN2
InChIInChI=1S/C17H15BrN4O2/c18-12-4-1-10(2-5-12)15(23)9-22-14-7-11(17(19)20)3-6-13(14)21-8-16(22)24/h1-7,21H,8-9H2,(H3,19,20)
InChIKeyCQSLHETVGASEOZ-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.37
Rot. Bonds4

About 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide

4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide (PubChem CID 15524209) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide
PubChem CID15524209
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)N(CC(=O)c1ccc(Br)cc1)C(=O)CN2
InChIInChI=1S/C17H15BrN4O2/c18-12-4-1-10(2-5-12)15(23)9-22-14-7-11(17(19)20)3-6-13(14)21-8-16(22)24/h1-7,21H,8-9H2,(H3,19,20)
InChIKeyCQSLHETVGASEOZ-UHFFFAOYSA-N
XLogP2.37
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-Bromobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 2425196
N-(2-{4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}phenyl)acetamide
CID 16016617
N-(2-{4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}phenyl)propanamide
CID 16016378
N-{[1-(4-bromobenzoyl)-4-piperidinyl]methyl}-N'-(4-ethylphenyl)ethanediamide
CID 2918047
4-[(4-bromophenyl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
CID 2987019
4-Bromo-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-YL)ethyl]benzamide
CID 51160604
4-bromo-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide
CID 45885186
7-Acetyl-4-(3-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 176177888
3-[2-(4-bromophenyl)-2-oxoethyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 4235371
4-(4-Bromo-2-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 25673024
N-[(5-bromo-2-fluorophenyl)methyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 46590835
4-(4-Bromo-3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 48474248

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide?
The IUPAC name of 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide (CID 15524209) is 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide.
What is the SMILES notation for 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide?
The canonical SMILES for 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)N(CC(=O)c1ccc(Br)cc1)C(=O)CN2.
What is the InChIKey of 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide?
The InChIKey is CQSLHETVGASEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-12-4-1-10(2-5-12)15(23)9-22-14-7-11(17(19)20)3-6-13(14)21-8-16(22)24/h1-7,21H,8-9H2,(H3,19,20).
What are the key properties of 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide?
4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide has a molecular weight of 387.24 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxaline-6-carboximidamide is sourced from PubChem (CID 15524209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).