7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

C14H17ClN2O — CID 115097456

IUPAC7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCC(C)N1c2ccc(Cl)cc2NC(=O)C12CCC2
InChIInChI=1S/C14H17ClN2O/c1-9(2)17-12-5-4-10(15)8-11(12)16-13(18)14(17)6-3-7-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyNKMHTHFSUSJVNK-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.43
Rot. Bonds1

About 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (PubChem CID 115097456) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
PubChem CID115097456
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCC(C)N1c2ccc(Cl)cc2NC(=O)C12CCC2
InChIInChI=1S/C14H17ClN2O/c1-9(2)17-12-5-4-10(15)8-11(12)16-13(18)14(17)6-3-7-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyNKMHTHFSUSJVNK-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098186
7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097791
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097371
6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115097176
5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098042
9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
CID 155809683
4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097432
7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one
CID 115095648
7-chloro-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclohexane]-2-one
CID 115099890

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The IUPAC name of 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (CID 115097456) is 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The canonical SMILES for 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is CC(C)N1c2ccc(Cl)cc2NC(=O)C12CCC2.
What is the InChIKey of 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The InChIKey is NKMHTHFSUSJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9(2)17-12-5-4-10(15)8-11(12)16-13(18)14(17)6-3-7-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one has a molecular weight of 264.76 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 115097456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).