3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide

C11H15N3O — CID 140737605

IUPAC3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
SMILESCC1(C)CN(C(N)=O)c2ccccc2N1
InChIInChI=1S/C11H15N3O/c1-11(2)7-14(10(12)15)9-6-4-3-5-8(9)13-11/h3-6,13H,7H2,1-2H3,(H2,12,15)
InChIKeyVORURSMFYMUHLM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds

About 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide

3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 140737605) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID140737605
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
SMILESCC1(C)CN(C(N)=O)c2ccccc2N1
InChIInChI=1S/C11H15N3O/c1-11(2)7-14(10(12)15)9-6-4-3-5-8(9)13-11/h3-6,13H,7H2,1-2H3,(H2,12,15)
InChIKeyVORURSMFYMUHLM-UHFFFAOYSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-trimethyl-1,3-dihydroquinoxaline;hydrochloride
CID 134691155
3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride
CID 173103301
1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone
CID 82392213
4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid
CID 84633101
tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate
CID 84645694
1-(2-aminophenyl)-4,4-dimethylimidazolidin-2-one
CID 105457673
(3S)-5-acetyl-3-amino-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 143013487
1-[(3S)-3-methyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone
CID 715888
2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 68790453
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide (CID 140737605) is 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide is CC1(C)CN(C(N)=O)c2ccccc2N1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is VORURSMFYMUHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2)7-14(10(12)15)9-6-4-3-5-8(9)13-11/h3-6,13H,7H2,1-2H3,(H2,12,15).
What are the key properties of 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide?
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 140737605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).