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

C21H22FN3 — CID 19824930

IUPAC3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
SMILESCN1CCC2(CC1)C1=c3ccccc3=NC1=C1CC=C(F)C=C1N2C
InChIInChI=1S/C21H22FN3/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
InChIKeyBRXWZSHJZKUVBR-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.28
Rot. Bonds

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

3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] (PubChem CID 19824930) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine].

Molecular Properties

Compound Name3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
PubChem CID19824930
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
SMILESCN1CCC2(CC1)C1=c3ccccc3=NC1=C1CC=C(F)C=C1N2C
InChIInChI=1S/C21H22FN3/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
InChIKeyBRXWZSHJZKUVBR-UHFFFAOYSA-N
XLogP2.28
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
The IUPAC name of 3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] (CID 19824930) is 3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine].
What is the SMILES notation for 3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
The canonical SMILES for 3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] is CN1CCC2(CC1)C1=c3ccccc3=NC1=C1CC=C(F)C=C1N2C.
What is the InChIKey of 3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
The InChIKey is BRXWZSHJZKUVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/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.
What are the key properties of 3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] has a molecular weight of 335.43 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] is sourced from PubChem (CID 19824930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).