N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide

C23H27N3O2 — CID 92898885

IUPACN-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2nc3ccccc3n(CC(C)C)c2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-5-16(4)24-22(27)18-12-10-17(11-13-18)21-23(28)26(14-15(2)3)20-9-7-6-8-19(20)25-21/h6-13,15-16H,5,14H2,1-4H3,(H,24,27)/t16-/m1/s1
InChIKeyXPKYLPJGZHFLTQ-MRXNPFEDSA-N
MW377.49 g/mol
LogP4.25
Rot. Bonds6

About N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide

N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide (PubChem CID 92898885) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
PubChem CID92898885
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2nc3ccccc3n(CC(C)C)c2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-5-16(4)24-22(27)18-12-10-17(11-13-18)21-23(28)26(14-15(2)3)20-9-7-6-8-19(20)25-21/h6-13,15-16H,5,14H2,1-4H3,(H,24,27)/t16-/m1/s1
InChIKeyXPKYLPJGZHFLTQ-MRXNPFEDSA-N
XLogP4.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide with MolForge

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Related Compounds

3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one
CID 50838544
4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 50838551
N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 92869667
4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide
CID 46395275
ethyl 1-[4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzoyl]piperidine-4-carboxylate
CID 50838501
1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one
CID 50838535
4-[(2-benzylbenzimidazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide
CID 94013681
4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
CID 50838506
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838498
N-butan-2-yl-4-(4-cyclopentyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393883
4-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009618

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide (CID 92898885) is N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide is CC[C@@H](C)NC(=O)c1ccc(-c2nc3ccccc3n(CC(C)C)c2=O)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide?
The InChIKey is XPKYLPJGZHFLTQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-5-16(4)24-22(27)18-12-10-17(11-13-18)21-23(28)26(14-15(2)3)20-9-7-6-8-19(20)25-21/h6-13,15-16H,5,14H2,1-4H3,(H,24,27)/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide?
N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide is sourced from PubChem (CID 92898885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).