1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide

C21H23N3O2 — CID 95065728

IUPAC1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C21H23N3O2/c1-14(9-10-16-7-5-4-6-8-16)22-20(25)17-11-12-19-18(13-17)23-15(2)21(26)24(19)3/h4-8,11-14H,9-10H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyWLNGUXNYBKAWPA-AWEZNQCLSA-N
MW349.43 g/mol
LogP2.99
Rot. Bonds5

About 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide

1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide (PubChem CID 95065728) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
PubChem CID95065728
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C21H23N3O2/c1-14(9-10-16-7-5-4-6-8-16)22-20(25)17-11-12-19-18(13-17)23-15(2)21(26)24(19)3/h4-8,11-14H,9-10H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyWLNGUXNYBKAWPA-AWEZNQCLSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
CID 95065720
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46324693
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
N-(4-phenylbutan-2-yl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324573
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
CID 22579575
2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
CID 51157933
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768186
N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
CID 71815611
N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53003089
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide (CID 95065728) is 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide is Cc1nc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide?
The InChIKey is WLNGUXNYBKAWPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(9-10-16-7-5-4-6-8-16)22-20(25)17-11-12-19-18(13-17)23-15(2)21(26)24(19)3/h4-8,11-14H,9-10H2,1-3H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide?
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide is sourced from PubChem (CID 95065728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).