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

C20H21N3O2 — CID 95065720

IUPAC1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C20H21N3O2/c1-13(15-7-5-4-6-8-15)12-21-19(24)16-9-10-18-17(11-16)22-14(2)20(25)23(18)3/h4-11,13H,12H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyHITAETQDZMSUDQ-CYBMUJFWSA-N
MW335.41 g/mol
LogP2.78
Rot. Bonds4

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

1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide (PubChem CID 95065720) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
PubChem CID95065720
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C20H21N3O2/c1-13(15-7-5-4-6-8-15)12-21-19(24)16-9-10-18-17(11-16)22-14(2)20(25)23(18)3/h4-11,13H,12H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyHITAETQDZMSUDQ-CYBMUJFWSA-N
XLogP2.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
N-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058261
N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53003089
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058255
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 177366976
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide
CID 22575656
1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide
CID 25225174

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide (CID 95065720) is 1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide is Cc1nc2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide?
The InChIKey is HITAETQDZMSUDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(15-7-5-4-6-8-15)12-21-19(24)16-9-10-18-17(11-16)22-14(2)20(25)23(18)3/h4-11,13H,12H2,1-3H3,(H,21,24)/t13-/m1/s1.
What are the key properties of 1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide?
1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.78, 4 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)-2-phenylpropyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 95065720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).