1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol

C18H11F3N2O — CID 156882057

IUPAC1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol
SMILESCn1cc(O)c2cnc3c(-c4cc(F)cc(F)c4F)cccc3c21
InChIInChI=1S/C18H11F3N2O/c1-23-8-15(24)13-7-22-17-10(3-2-4-11(17)18(13)23)12-5-9(19)6-14(20)16(12)21/h2-8,24H,1H3
InChIKeyKZTISKSHBFNMIO-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.52
Rot. Bonds1

About 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol

1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol (PubChem CID 156882057) has the molecular formula C18H11F3N2O and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol.

Molecular Properties

Compound Name1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol
PubChem CID156882057
Molecular FormulaC18H11F3N2O
Molecular Weight328.29 g/mol
Exact Mass328.08
IUPAC Name1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol
SMILESCn1cc(O)c2cnc3c(-c4cc(F)cc(F)c4F)cccc3c21
InChIInChI=1S/C18H11F3N2O/c1-23-8-15(24)13-7-22-17-10(3-2-4-11(17)18(13)23)12-5-9(19)6-14(20)16(12)21/h2-8,24H,1H3
InChIKeyKZTISKSHBFNMIO-UHFFFAOYSA-N
XLogP4.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol?
The IUPAC name of 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol (CID 156882057) is 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol.
What is the SMILES notation for 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol?
The canonical SMILES for 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol is Cn1cc(O)c2cnc3c(-c4cc(F)cc(F)c4F)cccc3c21.
What is the InChIKey of 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol?
The InChIKey is KZTISKSHBFNMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O/c1-23-8-15(24)13-7-22-17-10(3-2-4-11(17)18(13)23)12-5-9(19)6-14(20)16(12)21/h2-8,24H,1H3.
What are the key properties of 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol?
1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol has a molecular weight of 328.29 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2,3,5-trifluorophenyl)pyrrolo[3,2-c]quinolin-3-ol is sourced from PubChem (CID 156882057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).