4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine

C21H18F2N2O — CID 162489318

IUPAC4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1CC(Cc2ccccc2)N=C(c2cnc3c(F)c(F)ccc3c2)O1
InChIInChI=1S/C21H18F2N2O/c1-13-9-17(10-14-5-3-2-4-6-14)25-21(26-13)16-11-15-7-8-18(22)19(23)20(15)24-12-16/h2-8,11-13,17H,9-10H2,1H3
InChIKeyYABGUHHBXSVQOQ-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.68
Rot. Bonds3

About 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine

4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 162489318) has the molecular formula C21H18F2N2O and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID162489318
Molecular FormulaC21H18F2N2O
Molecular Weight352.38 g/mol
Exact Mass352.14
IUPAC Name4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1CC(Cc2ccccc2)N=C(c2cnc3c(F)c(F)ccc3c2)O1
InChIInChI=1S/C21H18F2N2O/c1-13-9-17(10-14-5-3-2-4-6-14)25-21(26-13)16-11-15-7-8-18(22)19(23)20(15)24-12-16/h2-8,11-13,17H,9-10H2,1H3
InChIKeyYABGUHHBXSVQOQ-UHFFFAOYSA-N
XLogP4.68
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine with MolForge

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Related Compounds

4-benzyl-2-(7-chloro-8-fluoroquinolin-3-yl)-6,6-dimethyl-4,5-dihydro-1,3-oxazine
CID 162489335
(4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 46929408
(4S)-4-benzyl-2-(8-fluoroquinolin-3-yl)-4,6,6-trimethyl-5H-1,3-oxazine
CID 146460646
4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole
CID 75240986
7,8-difluoro-3-propan-2-ylquinoline
CID 168882990
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 130421223
7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490026
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole
CID 15965653
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium
CID 59104701

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine (CID 162489318) is 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine is CC1CC(Cc2ccccc2)N=C(c2cnc3c(F)c(F)ccc3c2)O1.
What is the InChIKey of 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is YABGUHHBXSVQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O/c1-13-9-17(10-14-5-3-2-4-6-14)25-21(26-13)16-11-15-7-8-18(22)19(23)20(15)24-12-16/h2-8,11-13,17H,9-10H2,1H3.
What are the key properties of 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine?
4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 352.38 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(7,8-difluoroquinolin-3-yl)-6-methyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 162489318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).