12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

C14H15F3N2O — CID 54566896

IUPAC12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESFC(F)(F)OC1c2ccccc2N=C2CCCCCN21
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)20-13-10-6-3-4-7-11(10)18-12-8-2-1-5-9-19(12)13/h3-4,6-7,13H,1-2,5,8-9H2
InChIKeyZULUFIJNWRSTJP-UHFFFAOYSA-N
MW284.28 g/mol
LogP4.14
Rot. Bonds1

About 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (PubChem CID 54566896) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.

Molecular Properties

Compound Name12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
PubChem CID54566896
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESFC(F)(F)OC1c2ccccc2N=C2CCCCCN21
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)20-13-10-6-3-4-7-11(10)18-12-8-2-1-5-9-19(12)13/h3-4,6-7,13H,1-2,5,8-9H2
InChIKeyZULUFIJNWRSTJP-UHFFFAOYSA-N
XLogP4.14
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline with MolForge

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Related Compounds

1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
CID 44537691
1-Fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol
CID 44537694
8-Fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
CID 44537689
Quinazoline, 3,4-dihydro-4-methoxy-3-methyl-
CID 171384566
3-Bromo-12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 67836539
3-Chloro-12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 67837890
1-(Trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 67838115
4-Hydroxy-2,3-tetramethylene-3,4-dihydroquinazoline
CID 129875279
(5S)-5-ethyl-9-fluoro-2-methyl-1-(trifluoromethyl)-5,7-dihydro-3H-pyrimido[1,2-a][4,1]benzoxazepine
CID 143455302
2-pyrrolidin-1-yl-4H-3,1-benzoxazine
CID 12415192
6,7,8,9,10,12-Hexahydroazepino[2,1-b]quinazolin-12-ol
CID 54468429
N,N-diethyl-2-methyl-4H-3,1-benzoxazin-4-amine
CID 57878871

Frequently Asked Questions

What is the IUPAC name of 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The IUPAC name of 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (CID 54566896) is 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.
What is the SMILES notation for 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The canonical SMILES for 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is FC(F)(F)OC1c2ccccc2N=C2CCCCCN21.
What is the InChIKey of 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The InChIKey is ZULUFIJNWRSTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)20-13-10-6-3-4-7-11(10)18-12-8-2-1-5-9-19(12)13/h3-4,6-7,13H,1-2,5,8-9H2.
What are the key properties of 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline has a molecular weight of 284.28 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is sourced from PubChem (CID 54566896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).