1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C19H32N2O2 — CID 143875784

IUPAC1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC.CC1CCCCC1C.CCc1ccc2c(n1)NC(=O)CO2
InChIInChI=1S/C9H10N2O2.C8H16.C2H6/c1-2-6-3-4-7-9(10-6)11-8(12)5-13-7;1-7-5-3-4-6-8(7)2;1-2/h3-4H,2,5H2,1H3,(H,10,11,12);7-8H,3-6H2,1-2H3;1-2H3
InChIKeyKXRRNLMSPPJJJU-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.83
Rot. Bonds1

About 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 143875784) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID143875784
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC.CC1CCCCC1C.CCc1ccc2c(n1)NC(=O)CO2
InChIInChI=1S/C9H10N2O2.C8H16.C2H6/c1-2-6-3-4-7-9(10-6)11-8(12)5-13-7;1-7-5-3-4-6-8(7)2;1-2/h3-4H,2,5H2,1H3,(H,10,11,12);7-8H,3-6H2,1-2H3;1-2H3
InChIKeyKXRRNLMSPPJJJU-UHFFFAOYSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-N-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]acetamide
CID 141263802
2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 57250075
N-methyl-3-oxo-N-piperidin-4-yl-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 71215153
6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118798842
N,3-dioxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 143404652
6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144568295
N-(1-methylpiperidin-4-yl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 145497385
6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001056
6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001049
methylsulfanylmethane;6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142490527
6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 138688286
6-[2-[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 58523967

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 143875784) is 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC.CC1CCCCC1C.CCc1ccc2c(n1)NC(=O)CO2.
What is the InChIKey of 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is KXRRNLMSPPJJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.C8H16.C2H6/c1-2-6-3-4-7-9(10-6)11-8(12)5-13-7;1-7-5-3-4-6-8(7)2;1-2/h3-4H,2,5H2,1H3,(H,10,11,12);7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 320.48 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 143875784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).