8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]

C17H26N2O — CID 115098056

IUPAC8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
SMILESCOc1cccc2c1NCC1(CCCCC1)N2C(C)C
InChIInChI=1S/C17H26N2O/c1-13(2)19-14-8-7-9-15(20-3)16(14)18-12-17(19)10-5-4-6-11-17/h7-9,13,18H,4-6,10-12H2,1-3H3
InChIKeyICDQBEDIVVELGI-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.04
Rot. Bonds2

About 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]

8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] (PubChem CID 115098056) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane].

Molecular Properties

Compound Name8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
PubChem CID115098056
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
SMILESCOc1cccc2c1NCC1(CCCCC1)N2C(C)C
InChIInChI=1S/C17H26N2O/c1-13(2)19-14-8-7-9-15(20-3)16(14)18-12-17(19)10-5-4-6-11-17/h7-9,13,18H,4-6,10-12H2,1-3H3
InChIKeyICDQBEDIVVELGI-UHFFFAOYSA-N
XLogP4.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] with MolForge

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Related Compounds

6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
CID 113393267
6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]
CID 115099780
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097947
7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097804
7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701883
5-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097649
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097269
8-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
CID 84627183
7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 138594581
6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 113393211
9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434508
6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099069

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
The IUPAC name of 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] (CID 115098056) is 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane].
What is the SMILES notation for 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
The canonical SMILES for 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] is COc1cccc2c1NCC1(CCCCC1)N2C(C)C.
What is the InChIKey of 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
The InChIKey is ICDQBEDIVVELGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19-14-8-7-9-15(20-3)16(14)18-12-17(19)10-5-4-6-11-17/h7-9,13,18H,4-6,10-12H2,1-3H3.
What are the key properties of 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] has a molecular weight of 274.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] is sourced from PubChem (CID 115098056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).