2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one

C20H12F6N2O — CID 10201608

IUPAC2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one
SMILESCc1[nH]c2c(ccc3[nH]c(=O)cc(C(F)(F)F)c32)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F6N2O/c1-9-16(10-3-2-4-11(7-10)19(21,22)23)12-5-6-14-17(18(12)27-9)13(20(24,25)26)8-15(29)28-14/h2-8,27H,1H3,(H,28,29)
InChIKeyGKLCBZJRHBEJNX-UHFFFAOYSA-N
MW410.32 g/mol
LogP6.02
Rot. Bonds1

About 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one

2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one (PubChem CID 10201608) has the molecular formula C20H12F6N2O and a molecular weight of 410.32 g/mol. Its IUPAC name is 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one.

Molecular Properties

Compound Name2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one
PubChem CID10201608
Molecular FormulaC20H12F6N2O
Molecular Weight410.32 g/mol
Exact Mass410.09
IUPAC Name2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one
SMILESCc1[nH]c2c(ccc3[nH]c(=O)cc(C(F)(F)F)c32)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F6N2O/c1-9-16(10-3-2-4-11(7-10)19(21,22)23)12-5-6-14-17(18(12)27-9)13(20(24,25)26)8-15(29)28-14/h2-8,27H,1H3,(H,28,29)
InChIKeyGKLCBZJRHBEJNX-UHFFFAOYSA-N
XLogP6.02
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.32
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one?
The IUPAC name of 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one (CID 10201608) is 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one.
What is the SMILES notation for 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one?
The canonical SMILES for 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one is Cc1[nH]c2c(ccc3[nH]c(=O)cc(C(F)(F)F)c32)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one?
The InChIKey is GKLCBZJRHBEJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N2O/c1-9-16(10-3-2-4-11(7-10)19(21,22)23)12-5-6-14-17(18(12)27-9)13(20(24,25)26)8-15(29)28-14/h2-8,27H,1H3,(H,28,29).
What are the key properties of 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one?
2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one has a molecular weight of 410.32 g/mol, XLogP of 6.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrrolo[2,3-f]quinolin-7-one is sourced from PubChem (CID 10201608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).