6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one

C21H16ClFN2O2 — CID 100906523

IUPAC6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccc(Cl)cc12)N1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C21H16ClFN2O2/c22-12-5-6-16-13(9-12)14(10-18(26)24-16)20(27)25-11-21(7-2-8-21)19-15(23)3-1-4-17(19)25/h1,3-6,9-10H,2,7-8,11H2,(H,24,26)
InChIKeyNZIBRAQCRQPDDB-UHFFFAOYSA-N
MW382.82 g/mol
LogP4.40
Rot. Bonds1

About 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one

6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one (PubChem CID 100906523) has the molecular formula C21H16ClFN2O2 and a molecular weight of 382.82 g/mol. Its IUPAC name is 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one
PubChem CID100906523
Molecular FormulaC21H16ClFN2O2
Molecular Weight382.82 g/mol
Exact Mass382.09
IUPAC Name6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccc(Cl)cc12)N1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C21H16ClFN2O2/c22-12-5-6-16-13(9-12)14(10-18(26)24-16)20(27)25-11-21(7-2-8-21)19-15(23)3-1-4-17(19)25/h1,3-6,9-10H,2,7-8,11H2,(H,24,26)
InChIKeyNZIBRAQCRQPDDB-UHFFFAOYSA-N
XLogP4.40
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one (CID 100906523) is 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccc(Cl)cc12)N1CC2(CCC2)c2c(F)cccc21.
What is the InChIKey of 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is NZIBRAQCRQPDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O2/c22-12-5-6-16-13(9-12)14(10-18(26)24-16)20(27)25-11-21(7-2-8-21)19-15(23)3-1-4-17(19)25/h1,3-6,9-10H,2,7-8,11H2,(H,24,26).
What are the key properties of 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one?
6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 382.82 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 100906523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).