1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one

C14H13F3N2O — CID 118643908

IUPAC1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one
SMILESO=c1ccc2c3c(ccc2[nH]1)NCC3CCC(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)6-5-8-7-18-11-3-2-10-9(13(8)11)1-4-12(20)19-10/h1-4,8,18H,5-7H2,(H,19,20)
InChIKeyRDVNHDDFAPVBAV-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.38
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one

1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one (PubChem CID 118643908) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one
PubChem CID118643908
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one
SMILESO=c1ccc2c3c(ccc2[nH]1)NCC3CCC(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)6-5-8-7-18-11-3-2-10-9(13(8)11)1-4-12(20)19-10/h1-4,8,18H,5-7H2,(H,19,20)
InChIKeyRDVNHDDFAPVBAV-UHFFFAOYSA-N
XLogP3.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one?
The IUPAC name of 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one (CID 118643908) is 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one is O=c1ccc2c3c(ccc2[nH]1)NCC3CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one?
The InChIKey is RDVNHDDFAPVBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)6-5-8-7-18-11-3-2-10-9(13(8)11)1-4-12(20)19-10/h1-4,8,18H,5-7H2,(H,19,20).
What are the key properties of 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one?
1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one has a molecular weight of 282.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)-1,2,3,6-tetrahydropyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 118643908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).