2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone

C15H7F6N3O — CID 100951468

IUPAC2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone
SMILESCc1nc(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3cccnc3c2n1
InChIInChI=1S/C15H7F6N3O/c1-6-23-11-9(12(24-6)14(16,17)18)5-8(13(25)15(19,20)21)7-3-2-4-22-10(7)11/h2-5H,1H3
InChIKeyUCIZRJIQYRDRTO-UHFFFAOYSA-N
MW359.23 g/mol
LogP4.25
Rot. Bonds1

About 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone

2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone (PubChem CID 100951468) has the molecular formula C15H7F6N3O and a molecular weight of 359.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone
PubChem CID100951468
Molecular FormulaC15H7F6N3O
Molecular Weight359.23 g/mol
Exact Mass359.05
IUPAC Name2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone
SMILESCc1nc(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3cccnc3c2n1
InChIInChI=1S/C15H7F6N3O/c1-6-23-11-9(12(24-6)14(16,17)18)5-8(13(25)15(19,20)21)7-3-2-4-22-10(7)11/h2-5H,1H3
InChIKeyUCIZRJIQYRDRTO-UHFFFAOYSA-N
XLogP4.25
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone
CID 100951470
2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone
CID 137346972
2,2,2-trifluoro-1-[8-(propan-2-ylamino)-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone
CID 23243558
2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone
CID 10916138
2,2,2-trifluoro-1-[2-phenyl-3-(trifluoromethyl)thieno[3,2-h]quinolin-5-yl]ethanone
CID 11811950
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 100915221
ethyl (2R)-3-hydroxy-2-methyl-5-(2,2,2-trifluoroacetyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxylate
CID 101000037
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
1-[8-[(dimethylamino)methyl]-7-hydroxy-7-(trifluoromethyl)-10H-1,10-phenanthrolin-5-yl]-2,2,2-trifluoroethanone
CID 102413493
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone (CID 100951468) is 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone is Cc1nc(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3cccnc3c2n1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone?
The InChIKey is UCIZRJIQYRDRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O/c1-6-23-11-9(12(24-6)14(16,17)18)5-8(13(25)15(19,20)21)7-3-2-4-22-10(7)11/h2-5H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone?
2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone has a molecular weight of 359.23 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone is sourced from PubChem (CID 100951468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).