8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline

C19H20F3N3 — CID 136645338

IUPAC8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
SMILESCc1cc(C(F)(F)F)c2ccc3cc(C4CCN(C)CC4)nc3c2[nH]1
InChIInChI=1S/C19H20F3N3/c1-11-9-15(19(20,21)22)14-4-3-13-10-16(24-17(13)18(14)23-11)12-5-7-25(2)8-6-12/h3-4,9-10,12,23H,5-8H2,1-2H3
InChIKeyYMCZMFDBESKJDV-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.85
Rot. Bonds1

About 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline

8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline (PubChem CID 136645338) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline.

Molecular Properties

Compound Name8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
PubChem CID136645338
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
SMILESCc1cc(C(F)(F)F)c2ccc3cc(C4CCN(C)CC4)nc3c2[nH]1
InChIInChI=1S/C19H20F3N3/c1-11-9-15(19(20,21)22)14-4-3-13-10-16(24-17(13)18(14)23-11)12-5-7-25(2)8-6-12/h3-4,9-10,12,23H,5-8H2,1-2H3
InChIKeyYMCZMFDBESKJDV-UHFFFAOYSA-N
XLogP4.85
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824927
3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824930
1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824940
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136271335
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136271336
8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136645340
8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136645342
8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136645344
9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine
CID 137091894
9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 141242559
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 145564593
1-butylpiperidine;3,3-difluoro-2H-acridine
CID 160676935

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The IUPAC name of 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline (CID 136645338) is 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline.
What is the SMILES notation for 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The canonical SMILES for 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline is Cc1cc(C(F)(F)F)c2ccc3cc(C4CCN(C)CC4)nc3c2[nH]1.
What is the InChIKey of 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The InChIKey is YMCZMFDBESKJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3/c1-11-9-15(19(20,21)22)14-4-3-13-10-16(24-17(13)18(14)23-11)12-5-7-25(2)8-6-12/h3-4,9-10,12,23H,5-8H2,1-2H3.
What are the key properties of 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline has a molecular weight of 347.38 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline is sourced from PubChem (CID 136645338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).