3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

C24H22F3N3O4 — CID 55671393

IUPAC3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C24H22F3N3O4/c1-23-11-10-20(31)30(23)19-7-3-2-6-17(19)22(33)29(23)14-21(32)28-12-4-5-15-13-16(8-9-18(15)28)34-24(25,26)27/h2-3,6-9,13H,4-5,10-12,14H2,1H3
InChIKeyCXIHMIAKZVINSL-UHFFFAOYSA-N
MW473.45 g/mol
LogP3.86
Rot. Bonds3

About 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione (PubChem CID 55671393) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione.

Molecular Properties

Compound Name3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
PubChem CID55671393
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC Name3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C24H22F3N3O4/c1-23-11-10-20(31)30(23)19-7-3-2-6-17(19)22(33)29(23)14-21(32)28-12-4-5-15-13-16(8-9-18(15)28)34-24(25,26)27/h2-3,6-9,13H,4-5,10-12,14H2,1H3
InChIKeyCXIHMIAKZVINSL-UHFFFAOYSA-N
XLogP3.86
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The IUPAC name of 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione (CID 55671393) is 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione.
What is the SMILES notation for 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The canonical SMILES for 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione is CC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The InChIKey is CXIHMIAKZVINSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-23-11-10-20(31)30(23)19-7-3-2-6-17(19)22(33)29(23)14-21(32)28-12-4-5-15-13-16(8-9-18(15)28)34-24(25,26)27/h2-3,6-9,13H,4-5,10-12,14H2,1H3.
What are the key properties of 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione has a molecular weight of 473.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione is sourced from PubChem (CID 55671393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).