8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline

C19H18F3N3 — CID 136645344

IUPAC8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
SMILESCc1cc(C(F)(F)F)c2ccc3cc(C4=CCCN(C)C4)nc3c2[nH]1
InChIInChI=1S/C19H18F3N3/c1-11-8-15(19(20,21)22)14-6-5-12-9-16(24-17(12)18(14)23-11)13-4-3-7-25(2)10-13/h4-6,8-9,23H,3,7,10H2,1-2H3
InChIKeyVEBZANIIBXSWNT-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.76
Rot. Bonds1

About 8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline

8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline (PubChem CID 136645344) has the molecular formula C19H18F3N3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline.

Molecular Properties

Compound Name8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
PubChem CID136645344
Molecular FormulaC19H18F3N3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
SMILESCc1cc(C(F)(F)F)c2ccc3cc(C4=CCCN(C)C4)nc3c2[nH]1
InChIInChI=1S/C19H18F3N3/c1-11-8-15(19(20,21)22)14-6-5-12-9-16(24-17(12)18(14)23-11)13-4-3-7-25(2)10-13/h4-6,8-9,23H,3,7,10H2,1-2H3
InChIKeyVEBZANIIBXSWNT-UHFFFAOYSA-N
XLogP4.76
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-6,7-dihydroindolo[2,3-a]quinolizine
CID 10933868
2-Iodo-9-(trifluoromethyl)-1,5,6,7-tetrahydroindolo[3,2-d][1]benzazepine
CID 88170208
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-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136645338
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
Trifluoromethylpyrroloquinoline
CID 137225245
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
2-(fluoromethyl)-1H-pyrrolo[2,3-h]quinoline
CID 141446873
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 145564593
12-Oxido-9-(trifluoromethyl)-1,5,6,7-tetrahydroindolo[3,2-d][1]benzazepin-12-ium
CID 173263365

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The IUPAC name of 8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline (CID 136645344) is 8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline.
What is the SMILES notation for 8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The canonical SMILES for 8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline is Cc1cc(C(F)(F)F)c2ccc3cc(C4=CCCN(C)C4)nc3c2[nH]1.
What is the InChIKey of 8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The InChIKey is VEBZANIIBXSWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3/c1-11-8-15(19(20,21)22)14-6-5-12-9-16(24-17(12)18(14)23-11)13-4-3-7-25(2)10-13/h4-6,8-9,23H,3,7,10H2,1-2H3.
What are the key properties of 8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline has a molecular weight of 345.37 g/mol, XLogP of 4.76, 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-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline is sourced from PubChem (CID 136645344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).