6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one

C16H21ClN2O — CID 115098186

IUPAC6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
SMILESCC(C)N1c2cc(Cl)ccc2NC(=O)C12CCCCC2
InChIInChI=1S/C16H21ClN2O/c1-11(2)19-14-10-12(17)6-7-13(14)18-15(20)16(19)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyBANRWJXGMWPPQR-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.21
Rot. Bonds1

About 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one

6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one (PubChem CID 115098186) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
PubChem CID115098186
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
SMILESCC(C)N1c2cc(Cl)ccc2NC(=O)C12CCCCC2
InChIInChI=1S/C16H21ClN2O/c1-11(2)19-14-10-12(17)6-7-13(14)18-15(20)16(19)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyBANRWJXGMWPPQR-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097456
7-chloro-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclohexane]-2-one
CID 115099890
7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097791
8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097371
5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098042
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79295398
4-ethyl-6-hydroxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098187
4-ethyl-6-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098183
8-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclohexane]-4-one
CID 115099852
4-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
The IUPAC name of 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one (CID 115098186) is 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
The canonical SMILES for 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one is CC(C)N1c2cc(Cl)ccc2NC(=O)C12CCCCC2.
What is the InChIKey of 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
The InChIKey is BANRWJXGMWPPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-11(2)19-14-10-12(17)6-7-13(14)18-15(20)16(19)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20).
What are the key properties of 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one has a molecular weight of 292.81 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 115098186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).