6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C23H21ClN2O4 — CID 108809038

IUPAC6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1Cl)C(=O)CC1(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC1)O2
InChIInChI=1S/C23H21ClN2O4/c1-13-8-20-16(11-17(13)24)19(27)12-23(30-20)4-6-26(7-5-23)22(29)14-2-3-18-15(9-14)10-21(28)25-18/h2-3,8-9,11H,4-7,10,12H2,1H3,(H,25,28)
InChIKeyHFNKDITWNUOEBU-UHFFFAOYSA-N
MW424.88 g/mol
LogP3.78
Rot. Bonds1

About 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108809038) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108809038
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1Cl)C(=O)CC1(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC1)O2
InChIInChI=1S/C23H21ClN2O4/c1-13-8-20-16(11-17(13)24)19(27)12-23(30-20)4-6-26(7-5-23)22(29)14-2-3-18-15(9-14)10-21(28)25-18/h2-3,8-9,11H,4-7,10,12H2,1H3,(H,25,28)
InChIKeyHFNKDITWNUOEBU-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-1'-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69072990
6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735213
6-chloro-7-methyl-1'-(pyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735231
6-chloro-1'-(3,4-dimethoxybenzoyl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758412
6-chloro-7-methyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69077367
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
6-chloro-7-methyl-1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735196
6-chloro-8-methyl-1'-(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108808862
1-(6-chloro-7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 108735305
1-(6-chloro-7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735302
5-(4-acetyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1,3-dihydroindol-2-one
CID 166373053
6-chloro-7-methyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735333

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108809038) is 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc2c(cc1Cl)C(=O)CC1(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC1)O2.
What is the InChIKey of 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is HFNKDITWNUOEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-13-8-20-16(11-17(13)24)19(27)12-23(30-20)4-6-26(7-5-23)22(29)14-2-3-18-15(9-14)10-21(28)25-18/h2-3,8-9,11H,4-7,10,12H2,1H3,(H,25,28).
What are the key properties of 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 424.88 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-1'-(2-oxo-1,3-dihydroindole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108809038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).