2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine

C19H17F2N3OS — CID 156881518

IUPAC2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine
SMILESCC1(C)CC(Cc2nccs2)N=C(c2cnc3c(F)c(F)ccc3c2)O1
InChIInChI=1S/C19H17F2N3OS/c1-19(2)9-13(8-15-22-5-6-26-15)24-18(25-19)12-7-11-3-4-14(20)16(21)17(11)23-10-12/h3-7,10,13H,8-9H2,1-2H3
InChIKeyYDZNAFRLSAFJAL-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.53
Rot. Bonds3

About 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine

2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine (PubChem CID 156881518) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine
PubChem CID156881518
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine
SMILESCC1(C)CC(Cc2nccs2)N=C(c2cnc3c(F)c(F)ccc3c2)O1
InChIInChI=1S/C19H17F2N3OS/c1-19(2)9-13(8-15-22-5-6-26-15)24-18(25-19)12-7-11-3-4-14(20)16(21)17(11)23-10-12/h3-7,10,13H,8-9H2,1-2H3
InChIKeyYDZNAFRLSAFJAL-UHFFFAOYSA-N
XLogP4.53
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine?
The IUPAC name of 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine (CID 156881518) is 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine.
What is the SMILES notation for 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine?
The canonical SMILES for 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine is CC1(C)CC(Cc2nccs2)N=C(c2cnc3c(F)c(F)ccc3c2)O1.
What is the InChIKey of 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine?
The InChIKey is YDZNAFRLSAFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS/c1-19(2)9-13(8-15-22-5-6-26-15)24-18(25-19)12-7-11-3-4-14(20)16(21)17(11)23-10-12/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine?
2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine has a molecular weight of 373.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-difluoroquinolin-3-yl)-6,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1,3-oxazine is sourced from PubChem (CID 156881518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).