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

C19H20F3N3 — CID 136645340

IUPAC8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
SMILESCc1cc(C(F)(F)F)c2ccc3cc(C4CCCN(C)C4)nc3c2[nH]1
InChIInChI=1S/C19H20F3N3/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/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3
InChIKeyUUYMAESXHIXPGB-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.85
Rot. Bonds1

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

8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline (PubChem CID 136645340) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline.

Molecular Properties

Compound Name8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
PubChem CID136645340
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
SMILESCc1cc(C(F)(F)F)c2ccc3cc(C4CCCN(C)C4)nc3c2[nH]1
InChIInChI=1S/C19H20F3N3/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/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3
InChIKeyUUYMAESXHIXPGB-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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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The IUPAC name of 8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline (CID 136645340) is 8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline.
What is the SMILES notation for 8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The canonical SMILES for 8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline is Cc1cc(C(F)(F)F)c2ccc3cc(C4CCCN(C)C4)nc3c2[nH]1.
What is the InChIKey of 8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
The InChIKey is UUYMAESXHIXPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3/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/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3.
What are the key properties of 8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline?
8-methyl-2-(1-methylpiperidin-3-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-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline is sourced from PubChem (CID 136645340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).