N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

C24H31N3O2 — CID 7581021

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C24H31N3O2/c1-4-27-21-6-5-19(10-20(21)25-14(2)23(27)29)22(28)26-15(3)24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,15-18H,4,7-9,11-13H2,1-3H3,(H,26,28)/t15-,16?,17?,18?,24?/m0/s1
InChIKeySSQZOKBOGGWCGK-KSKOPSKJSA-N
MW393.53 g/mol
LogP4.06
Rot. Bonds4

About N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 7581021) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
PubChem CID7581021
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C24H31N3O2/c1-4-27-21-6-5-19(10-20(21)25-14(2)23(27)29)22(28)26-15(3)24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,15-18H,4,7-9,11-13H2,1-3H3,(H,26,28)/t15-,16?,17?,18?,24?/m0/s1
InChIKeySSQZOKBOGGWCGK-KSKOPSKJSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide with MolForge

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Related Compounds

1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide
CID 41013801
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 30094301
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 30830104

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 7581021) is N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)ccc21.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is SSQZOKBOGGWCGK-KSKOPSKJSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-27-21-6-5-19(10-20(21)25-14(2)23(27)29)22(28)26-15(3)24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,15-18H,4,7-9,11-13H2,1-3H3,(H,26,28)/t15-,16?,17?,18?,24?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 7581021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).