2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

C18H26N4O2 — CID 170319910

IUPAC2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCCC(C)C1C(=O)Nc2ccccc2N1C(=O)NC1CCN(C)C1
InChIInChI=1S/C18H26N4O2/c1-4-12(2)16-17(23)20-14-7-5-6-8-15(14)22(16)18(24)19-13-9-10-21(3)11-13/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyMYKKBMIPEVPNFE-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.27
Rot. Bonds3

About 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 170319910) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID170319910
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCCC(C)C1C(=O)Nc2ccccc2N1C(=O)NC1CCN(C)C1
InChIInChI=1S/C18H26N4O2/c1-4-12(2)16-17(23)20-14-7-5-6-8-15(14)22(16)18(24)19-13-9-10-21(3)11-13/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyMYKKBMIPEVPNFE-UHFFFAOYSA-N
XLogP2.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 177274145
(3S)-3-[(2S)-butan-2-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 167063098
3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
CID 170319947
3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319906
3-butan-2-yl-2-oxo-N-pyrrolidin-3-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163292584
(2S,3S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoic acid
CID 11920951
3-butan-2-yl-4-(1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170320096
(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61465002
4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 44667350
(3S)-3-[(2S)-butan-2-yl]-2-oxo-N-[(3S)-2-oxopiperidin-3-yl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163292953
(3S)-3-[(2S)-butan-2-yl]-4-(4-methylpiperazine-1-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293310
(2S)-2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 40957853

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (CID 170319910) is 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is CCC(C)C1C(=O)Nc2ccccc2N1C(=O)NC1CCN(C)C1.
What is the InChIKey of 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is MYKKBMIPEVPNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-12(2)16-17(23)20-14-7-5-6-8-15(14)22(16)18(24)19-13-9-10-21(3)11-13/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,19,24)(H,20,23).
What are the key properties of 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170319910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).