7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one

C19H14F3N3O2 — CID 141471291

IUPAC7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one
SMILESO=c1c2c(c3ccc(-c4ccc(CO)cn4)cc3n1CC(F)(F)F)CN=C2
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)10-25-17-5-12(16-4-1-11(9-26)6-24-16)2-3-13(17)14-7-23-8-15(14)18(25)27/h1-6,8,26H,7,9-10H2
InChIKeyIDPBWJARLUZFTN-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.05
Rot. Bonds3

About 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one

7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one (PubChem CID 141471291) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one
PubChem CID141471291
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one
SMILESO=c1c2c(c3ccc(-c4ccc(CO)cn4)cc3n1CC(F)(F)F)CN=C2
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)10-25-17-5-12(16-4-1-11(9-26)6-24-16)2-3-13(17)14-7-23-8-15(14)18(25)27/h1-6,8,26H,7,9-10H2
InChIKeyIDPBWJARLUZFTN-UHFFFAOYSA-N
XLogP3.05
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one with MolForge

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Related Compounds

1-Ethyl-2-hydroxy-4-oxo-7-(4-pyridyl)quinoline-3-carboxamide
CID 54688493
2-Hydroxy-1-methyl-4-oxo-7-(4-pyridyl)quinoline-3-carboxamide
CID 54688507
[4-Propan-2-yl-7-(trifluoromethyl)quinolin-3-yl]methanol
CID 17840136
[4-Trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanol
CID 21935795
(6-(4-(Trifluoromethyl)phenyl)pyridin-3-yl)methanol
CID 21935952
4-Hydroxy-7-(3-trifluoromethyl-pyridin-2-yl)-1H-quinolin-2-one
CID 57561071
2-Cyclohexyl-1-[6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-ethanol
CID 59729375
4,4,4-Trifluoro-1-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]butan-1-ol
CID 59729376
1-[6-(4-Trifluoromethyl-phenyl)-pyridin-3-yl]-propan-1-ol
CID 59729419
5,5,5-Trifluoro-1-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]pentan-1-ol
CID 59729421
1-[6-(4-Trifluoromethyl-phenyl)-pyridin-3-yl]-heptan-1-ol
CID 59729426
1-[6-[4-(Trifluoromethyl)phenyl]pyridin-3-yl]butan-1-ol
CID 59729443

Frequently Asked Questions

What is the IUPAC name of 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one?
The IUPAC name of 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one (CID 141471291) is 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one?
The canonical SMILES for 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one is O=c1c2c(c3ccc(-c4ccc(CO)cn4)cc3n1CC(F)(F)F)CN=C2.
What is the InChIKey of 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one?
The InChIKey is IDPBWJARLUZFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)10-25-17-5-12(16-4-1-11(9-26)6-24-16)2-3-13(17)14-7-23-8-15(14)18(25)27/h1-6,8,26H,7,9-10H2.
What are the key properties of 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one?
7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one has a molecular weight of 373.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 141471291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).