10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one

C21H12FN3OS — CID 146501121

IUPAC10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(F)ccc2sc2c(Nc3ccccn3)nc3ccccc3c12
InChIInChI=1S/C21H12FN3OS/c22-12-8-9-16-14(11-12)19(26)18-13-5-1-2-6-15(13)24-21(20(18)27-16)25-17-7-3-4-10-23-17/h1-11H,(H,23,24,25)
InChIKeyFWBHTBPELYTJNH-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.24
Rot. Bonds2

About 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one

10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one (PubChem CID 146501121) has the molecular formula C21H12FN3OS and a molecular weight of 373.41 g/mol. Its IUPAC name is 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one
PubChem CID146501121
Molecular FormulaC21H12FN3OS
Molecular Weight373.41 g/mol
Exact Mass373.07
IUPAC Name10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(F)ccc2sc2c(Nc3ccccn3)nc3ccccc3c12
InChIInChI=1S/C21H12FN3OS/c22-12-8-9-16-14(11-12)19(26)18-13-5-1-2-6-15(13)24-21(20(18)27-16)25-17-7-3-4-10-23-17/h1-11H,(H,23,24,25)
InChIKeyFWBHTBPELYTJNH-UHFFFAOYSA-N
XLogP5.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one (CID 146501121) is 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one is O=c1c2cc(F)ccc2sc2c(Nc3ccccn3)nc3ccccc3c12.
What is the InChIKey of 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one?
The InChIKey is FWBHTBPELYTJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN3OS/c22-12-8-9-16-14(11-12)19(26)18-13-5-1-2-6-15(13)24-21(20(18)27-16)25-17-7-3-4-10-23-17/h1-11H,(H,23,24,25).
What are the key properties of 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one?
10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one has a molecular weight of 373.41 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 146501121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).