3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide

C20H23N3O2 — CID 170319902

IUPAC3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
SMILESCCCC1C(=O)Nc2ccccc2N1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-9-18-19(24)22-16-12-7-8-13-17(16)23(18)20(25)21-14(2)15-10-5-4-6-11-15/h4-8,10-14,18H,3,9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyIDYNXOMRAJUBLJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.08
Rot. Bonds4

About 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide

3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 170319902) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID170319902
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
SMILESCCCC1C(=O)Nc2ccccc2N1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-9-18-19(24)22-16-12-7-8-13-17(16)23(18)20(25)21-14(2)15-10-5-4-6-11-15/h4-8,10-14,18H,3,9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyIDYNXOMRAJUBLJ-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 177274192
N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170320010
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319935
(2S,3S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoic acid
CID 11920951
(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274193
(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 177274169
(3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274219
4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 44667350
benzhydryl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate
CID 177390369
(2S)-2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 40957853
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032844
3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
CID 170319947

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide (CID 170319902) is 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide is CCCC1C(=O)Nc2ccccc2N1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is IDYNXOMRAJUBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-9-18-19(24)22-16-12-7-8-13-17(16)23(18)20(25)21-14(2)15-10-5-4-6-11-15/h4-8,10-14,18H,3,9H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide?
3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170319902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).