phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone

C26H15F3N2O2 — CID 3447457

IUPACphenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone
SMILESO=C(c1ccccc1)c1cc(C(=O)c2cccc(C(F)(F)F)c2)n2cnc3ccccc3c12
InChIInChI=1S/C26H15F3N2O2/c27-26(28,29)18-10-6-9-17(13-18)25(33)22-14-20(24(32)16-7-2-1-3-8-16)23-19-11-4-5-12-21(19)30-15-31(22)23/h1-15H
InChIKeyNOHQBNURZITZTH-UHFFFAOYSA-N
MW444.41 g/mol
LogP5.97
Rot. Bonds4

About phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone

phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone (PubChem CID 3447457) has the molecular formula C26H15F3N2O2 and a molecular weight of 444.41 g/mol. Its IUPAC name is phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone
PubChem CID3447457
Molecular FormulaC26H15F3N2O2
Molecular Weight444.41 g/mol
Exact Mass444.11
IUPAC Namephenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone
SMILESO=C(c1ccccc1)c1cc(C(=O)c2cccc(C(F)(F)F)c2)n2cnc3ccccc3c12
InChIInChI=1S/C26H15F3N2O2/c27-26(28,29)18-10-6-9-17(13-18)25(33)22-14-20(24(32)16-7-2-1-3-8-16)23-19-11-4-5-12-21(19)30-15-31(22)23/h1-15H
InChIKeyNOHQBNURZITZTH-UHFFFAOYSA-N
XLogP5.97
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone?
The IUPAC name of phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone (CID 3447457) is phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone.
What is the SMILES notation for phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone?
The canonical SMILES for phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone is O=C(c1ccccc1)c1cc(C(=O)c2cccc(C(F)(F)F)c2)n2cnc3ccccc3c12.
What is the InChIKey of phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone?
The InChIKey is NOHQBNURZITZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F3N2O2/c27-26(28,29)18-10-6-9-17(13-18)25(33)22-14-20(24(32)16-7-2-1-3-8-16)23-19-11-4-5-12-21(19)30-15-31(22)23/h1-15H.
What are the key properties of phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone?
phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone has a molecular weight of 444.41 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]quinazolin-1-yl]methanone is sourced from PubChem (CID 3447457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).