3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride

C21H24Cl3N3 — CID 19824928

IUPAC3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride
SMILESCN1CCC2(CC1)C1=c3ccccc3=NC1=C1CC=C(Cl)C=C1N2C.Cl.Cl
InChIInChI=1S/C21H22ClN3.2ClH/c1-24-11-9-21(10-12-24)19-15-5-3-4-6-17(15)23-20(19)16-8-7-14(22)13-18(16)25(21)2;;/h3-7,13H,8-12H2,1-2H3;2*1H
InChIKeyFJRZYOFXDLVBMD-UHFFFAOYSA-N
MW424.80 g/mol
LogP3.39
Rot. Bonds

About 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride

3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride (PubChem CID 19824928) has the molecular formula C21H24Cl3N3 and a molecular weight of 424.80 g/mol. Its IUPAC name is 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride.

Molecular Properties

Compound Name3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride
PubChem CID19824928
Molecular FormulaC21H24Cl3N3
Molecular Weight424.80 g/mol
Exact Mass423.10
IUPAC Name3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride
SMILESCN1CCC2(CC1)C1=c3ccccc3=NC1=C1CC=C(Cl)C=C1N2C.Cl.Cl
InChIInChI=1S/C21H22ClN3.2ClH/c1-24-11-9-21(10-12-24)19-15-5-3-4-6-17(15)23-20(19)16-8-7-14(22)13-18(16)25(21)2;;/h3-7,13H,8-12H2,1-2H3;2*1H
InChIKeyFJRZYOFXDLVBMD-UHFFFAOYSA-N
XLogP3.39
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.80
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride?
The IUPAC name of 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride (CID 19824928) is 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride.
What is the SMILES notation for 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride?
The canonical SMILES for 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride is CN1CCC2(CC1)C1=c3ccccc3=NC1=C1CC=C(Cl)C=C1N2C.Cl.Cl.
What is the InChIKey of 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride?
The InChIKey is FJRZYOFXDLVBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3.2ClH/c1-24-11-9-21(10-12-24)19-15-5-3-4-6-17(15)23-20(19)16-8-7-14(22)13-18(16)25(21)2;;/h3-7,13H,8-12H2,1-2H3;2*1H.
What are the key properties of 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride?
3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride has a molecular weight of 424.80 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine];dihydrochloride is sourced from PubChem (CID 19824928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).