4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole

C19H14FN3O3S — CID 134174874

IUPAC4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole
SMILESCOc1cnc2c(-c3nc4c(F)cc5c(c4s3)OCCO5)cc(C)cc2n1
InChIInChI=1S/C19H14FN3O3S/c1-9-5-10(15-12(6-9)22-14(24-2)8-21-15)19-23-16-11(20)7-13-17(18(16)27-19)26-4-3-25-13/h5-8H,3-4H2,1-2H3
InChIKeyCNRQVYWZGZAQSS-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.13
Rot. Bonds2

About 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole

4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole (PubChem CID 134174874) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole
PubChem CID134174874
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole
SMILESCOc1cnc2c(-c3nc4c(F)cc5c(c4s3)OCCO5)cc(C)cc2n1
InChIInChI=1S/C19H14FN3O3S/c1-9-5-10(15-12(6-9)22-14(24-2)8-21-15)19-23-16-11(20)7-13-17(18(16)27-19)26-4-3-25-13/h5-8H,3-4H2,1-2H3
InChIKeyCNRQVYWZGZAQSS-UHFFFAOYSA-N
XLogP4.13
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole?
The IUPAC name of 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole (CID 134174874) is 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole?
The canonical SMILES for 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole is COc1cnc2c(-c3nc4c(F)cc5c(c4s3)OCCO5)cc(C)cc2n1.
What is the InChIKey of 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole?
The InChIKey is CNRQVYWZGZAQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-9-5-10(15-12(6-9)22-14(24-2)8-21-15)19-23-16-11(20)7-13-17(18(16)27-19)26-4-3-25-13/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole?
4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole has a molecular weight of 383.40 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 134174874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).