N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide

C18H23N3O3 — CID 20944530

IUPACN-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)CC1
InChIInChI=1S/C18H23N3O3/c1-11-4-6-12(7-5-11)16(22)19-13-8-9-14-15(10-13)21(3)18(24)17(23)20(14)2/h8-12H,4-7H2,1-3H3,(H,19,22)
InChIKeyRCUYJXRVWRBDED-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.00
Rot. Bonds2

About N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide

N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 20944530) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID20944530
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)CC1
InChIInChI=1S/C18H23N3O3/c1-11-4-6-12(7-5-11)16(22)19-13-8-9-14-15(10-13)21(3)18(24)17(23)20(14)2/h8-12H,4-7H2,1-3H3,(H,19,22)
InChIKeyRCUYJXRVWRBDED-UHFFFAOYSA-N
XLogP2.00
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975675
N-(3-hydroxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 113287962
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide
CID 59715135
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
(2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide
CID 166375292
3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
CID 119764734
N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 81478295

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide (CID 20944530) is N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)CC1.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is RCUYJXRVWRBDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-4-6-12(7-5-11)16(22)19-13-8-9-14-15(10-13)21(3)18(24)17(23)20(14)2/h8-12H,4-7H2,1-3H3,(H,19,22).
What are the key properties of N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide?
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 20944530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).