10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one

C17H22FN3O — CID 110067058

IUPAC10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one
SMILESCC(C)CN1CCCn2c(nc3ccc(F)cc3c2=O)CC1
InChIInChI=1S/C17H22FN3O/c1-12(2)11-20-7-3-8-21-16(6-9-20)19-15-5-4-13(18)10-14(15)17(21)22/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyJFKJSULPFSTSHX-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.44
Rot. Bonds2

About 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one

10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one (PubChem CID 110067058) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one.

Molecular Properties

Compound Name10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one
PubChem CID110067058
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one
SMILESCC(C)CN1CCCn2c(nc3ccc(F)cc3c2=O)CC1
InChIInChI=1S/C17H22FN3O/c1-12(2)11-20-7-3-8-21-16(6-9-20)19-15-5-4-13(18)10-14(15)17(21)22/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyJFKJSULPFSTSHX-UHFFFAOYSA-N
XLogP2.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one with MolForge

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Related Compounds

7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
(6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
CID 163214386
2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261315
N'-(2,4-difluorophenyl)-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxamide
CID 23602292
2-[(1R)-1-(4-ethyl-1,4-diazepan-1-yl)butyl]-6-fluoro-3-propan-2-ylquinazolin-4-one
CID 156721337
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525957
7-fluoro-3-(1-phenylethylamino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 22048051
6-fluoro-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 156572829
2-methylpropyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 9362949
3-benzyl-8-[2-(3-fluorophenyl)ethynyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 58574781
3-[(2-fluorophenyl)methyl]-8,9-dimethoxy-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 92594433
6-[2-(3-fluorophenyl)ethynyl]-13-methyl-1,9,13-triazatricyclo[8.8.0.03,8]octadeca-3(8),4,6,9-tetraen-2-one
CID 123302834

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one?
The IUPAC name of 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one (CID 110067058) is 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one.
What is the SMILES notation for 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one?
The canonical SMILES for 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one is CC(C)CN1CCCn2c(nc3ccc(F)cc3c2=O)CC1.
What is the InChIKey of 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one?
The InChIKey is JFKJSULPFSTSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-12(2)11-20-7-3-8-21-16(6-9-20)19-15-5-4-13(18)10-14(15)17(21)22/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one?
10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one has a molecular weight of 303.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-3-(2-methylpropyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[2,1-b]quinazolin-8-one is sourced from PubChem (CID 110067058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).