1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]

C22H25N3S — CID 19824919

IUPAC1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
SMILESCSC1=CCC2=C3N=c4ccccc4=C3C3(CCN(C)CC3)N(C)C2=C1
InChIInChI=1S/C22H25N3S/c1-24-12-10-22(11-13-24)20-16-6-4-5-7-18(16)23-21(20)17-9-8-15(26-3)14-19(17)25(22)2/h4-8,14H,9-13H2,1-3H3
InChIKeyFCFMGCODSPSISA-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.67
Rot. Bonds1

About 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]

1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] (PubChem CID 19824919) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine].

Molecular Properties

Compound Name1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
PubChem CID19824919
Molecular FormulaC22H25N3S
Molecular Weight363.53 g/mol
Exact Mass363.18
IUPAC Name1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
SMILESCSC1=CCC2=C3N=c4ccccc4=C3C3(CCN(C)CC3)N(C)C2=C1
InChIInChI=1S/C22H25N3S/c1-24-12-10-22(11-13-24)20-16-6-4-5-7-18(16)23-21(20)17-9-8-15(26-3)14-19(17)25(22)2/h4-8,14H,9-13H2,1-3H3
InChIKeyFCFMGCODSPSISA-UHFFFAOYSA-N
XLogP2.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
The IUPAC name of 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] (CID 19824919) is 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine].
What is the SMILES notation for 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
The canonical SMILES for 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] is CSC1=CCC2=C3N=c4ccccc4=C3C3(CCN(C)CC3)N(C)C2=C1.
What is the InChIKey of 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
The InChIKey is FCFMGCODSPSISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-24-12-10-22(11-13-24)20-16-6-4-5-7-18(16)23-21(20)17-9-8-15(26-3)14-19(17)25(22)2/h4-8,14H,9-13H2,1-3H3.
What are the key properties of 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] has a molecular weight of 363.53 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5-dimethyl-3-methylsulfanylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] is sourced from PubChem (CID 19824919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).