1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]

C22H22F3N3 — CID 19824940

IUPAC1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
SMILESCN1CCC2(CC1)C1=c3ccccc3=NC1=C1CC=C(C(F)(F)F)C=C1N2C
InChIInChI=1S/C22H22F3N3/c1-27-11-9-21(10-12-27)19-15-5-3-4-6-17(15)26-20(19)16-8-7-14(22(23,24)25)13-18(16)28(21)2/h3-7,13H,8-12H2,1-2H3
InChIKeyMPAJEHUVCWDGKT-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.91
Rot. Bonds

About 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]

1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] (PubChem CID 19824940) has the molecular formula C22H22F3N3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine].

Molecular Properties

Compound Name1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
PubChem CID19824940
Molecular FormulaC22H22F3N3
Molecular Weight385.43 g/mol
Exact Mass385.18
IUPAC Name1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
SMILESCN1CCC2(CC1)C1=c3ccccc3=NC1=C1CC=C(C(F)(F)F)C=C1N2C
InChIInChI=1S/C22H22F3N3/c1-27-11-9-21(10-12-27)19-15-5-3-4-6-17(15)26-20(19)16-8-7-14(22(23,24)25)13-18(16)28(21)2/h3-7,13H,8-12H2,1-2H3
InChIKeyMPAJEHUVCWDGKT-UHFFFAOYSA-N
XLogP2.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
The IUPAC name of 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] (CID 19824940) is 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine].
What is the SMILES notation for 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
The canonical SMILES for 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] is CN1CCC2(CC1)C1=c3ccccc3=NC1=C1CC=C(C(F)(F)F)C=C1N2C.
What is the InChIKey of 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
The InChIKey is MPAJEHUVCWDGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3/c1-27-11-9-21(10-12-27)19-15-5-3-4-6-17(15)26-20(19)16-8-7-14(22(23,24)25)13-18(16)28(21)2/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]?
1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] has a molecular weight of 385.43 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine] is sourced from PubChem (CID 19824940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).