7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline

C18H12F3N3 — CID 154455736

IUPAC7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline
SMILESCn1ccc2c3cncnc3cc(-c3ccccc3C(F)(F)F)c21
InChIInChI=1S/C18H12F3N3/c1-24-7-6-12-14-9-22-10-23-16(14)8-13(17(12)24)11-4-2-3-5-15(11)18(19,20)21/h2-10H,1H3
InChIKeyITGVBLUZDLUEDD-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.81
Rot. Bonds1

About 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline

7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline (PubChem CID 154455736) has the molecular formula C18H12F3N3 and a molecular weight of 327.31 g/mol. Its IUPAC name is 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline.

Molecular Properties

Compound Name7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline
PubChem CID154455736
Molecular FormulaC18H12F3N3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC Name7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline
SMILESCn1ccc2c3cncnc3cc(-c3ccccc3C(F)(F)F)c21
InChIInChI=1S/C18H12F3N3/c1-24-7-6-12-14-9-22-10-23-16(14)8-13(17(12)24)11-4-2-3-5-15(11)18(19,20)21/h2-10H,1H3
InChIKeyITGVBLUZDLUEDD-UHFFFAOYSA-N
XLogP4.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline with MolForge

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Related Compounds

6-(4-ethenylphenyl)-7-methylpyrrolo[3,2-f]quinazoline
CID 154455775
1-N,1-N-diethyl-7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 11156779
1-N,1-N-dibenzyl-7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 21106367
1-methyl-3-[2-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 170838791
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
5,7-bis(trifluoromethyl)quinazoline
CID 175829219
4-[2-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde
CID 118818673
[1,3-diamino-2-ethyl-7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-1-yl] 2,2,2-trifluoroacetate
CID 87716305
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol
CID 11200041
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468
2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]-1,2,2-trifluoroethanol
CID 91463076

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline?
The IUPAC name of 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline (CID 154455736) is 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline.
What is the SMILES notation for 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline?
The canonical SMILES for 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline is Cn1ccc2c3cncnc3cc(-c3ccccc3C(F)(F)F)c21.
What is the InChIKey of 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline?
The InChIKey is ITGVBLUZDLUEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3/c1-24-7-6-12-14-9-22-10-23-16(14)8-13(17(12)24)11-4-2-3-5-15(11)18(19,20)21/h2-10H,1H3.
What are the key properties of 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline?
7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline has a molecular weight of 327.31 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline is sourced from PubChem (CID 154455736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).