4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one

C16H17FN4O — CID 133430021

IUPAC4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
SMILESO=C1CN(c2ncnc3ccc(F)cc23)C2CCCCC2N1
InChIInChI=1S/C16H17FN4O/c17-10-5-6-12-11(7-10)16(19-9-18-12)21-8-15(22)20-13-3-1-2-4-14(13)21/h5-7,9,13-14H,1-4,8H2,(H,20,22)
InChIKeyQCWRLYFPBRHVKC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.02
Rot. Bonds1

About 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one

4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one (PubChem CID 133430021) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
PubChem CID133430021
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
SMILESO=C1CN(c2ncnc3ccc(F)cc23)C2CCCCC2N1
InChIInChI=1S/C16H17FN4O/c17-10-5-6-12-11(7-10)16(19-9-18-12)21-8-15(22)20-13-3-1-2-4-14(13)21/h5-7,9,13-14H,1-4,8H2,(H,20,22)
InChIKeyQCWRLYFPBRHVKC-UHFFFAOYSA-N
XLogP2.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one with MolForge

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
CID 133425208
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
(4aS,8aR)-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 97083241
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 167789984
(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 97342141
6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline
CID 133428827
5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine
CID 133429304
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
4-cyclopentylsulfanyl-6-fluoroquinazoline
CID 129024670
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
The IUPAC name of 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one (CID 133430021) is 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one.
What is the SMILES notation for 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
The canonical SMILES for 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one is O=C1CN(c2ncnc3ccc(F)cc23)C2CCCCC2N1.
What is the InChIKey of 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
The InChIKey is QCWRLYFPBRHVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-10-5-6-12-11(7-10)16(19-9-18-12)21-8-15(22)20-13-3-1-2-4-14(13)21/h5-7,9,13-14H,1-4,8H2,(H,20,22).
What are the key properties of 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one has a molecular weight of 300.34 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one is sourced from PubChem (CID 133430021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).