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

C86H50F4N10O4S4 — CID 159211063

IUPACbis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(F)ccc2sc2c(Nc3ccccc3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(Nc3ccccc3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(Nc3ccccn3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(Nc3cccnc3)nc3ccccc3c12
InChIInChI=1S/2C22H13FN2OS.2C21H12FN3OS/c2*23-13-10-11-18-16(12-13)20(26)19-15-8-4-5-9-17(15)25-22(21(19)27-18)24-14-6-2-1-3-7-14;22-12-7-8-17-15(10-12)19(26)18-14-5-1-2-6-16(14)25-21(20(18)27-17)24-13-4-3-9-23-11-13;22-12-8-9-16-14(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/h2*1-12H,(H,24,25);1-11H,(H,24,25);1-11H,(H,23,24,25)
InChIKeyKQMOUPKTEHPVPM-UHFFFAOYSA-N
MW1491.67 g/mol
LogP22.17
Rot. Bonds8

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

bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one (PubChem CID 159211063) has the molecular formula C86H50F4N10O4S4 and a molecular weight of 1491.67 g/mol. Its IUPAC name is bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Namebis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one
PubChem CID159211063
Molecular FormulaC86H50F4N10O4S4
Molecular Weight1491.67 g/mol
Exact Mass1490.28
IUPAC Namebis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(F)ccc2sc2c(Nc3ccccc3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(Nc3ccccc3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(Nc3ccccn3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(Nc3cccnc3)nc3ccccc3c12
InChIInChI=1S/2C22H13FN2OS.2C21H12FN3OS/c2*23-13-10-11-18-16(12-13)20(26)19-15-8-4-5-9-17(15)25-22(21(19)27-18)24-14-6-2-1-3-7-14;22-12-7-8-17-15(10-12)19(26)18-14-5-1-2-6-16(14)25-21(20(18)27-17)24-13-4-3-9-23-11-13;22-12-8-9-16-14(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/h2*1-12H,(H,24,25);1-11H,(H,24,25);1-11H,(H,23,24,25)
InChIKeyKQMOUPKTEHPVPM-UHFFFAOYSA-N
XLogP22.17
TPSA193.74 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001491.67
LogP ≤ 522.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one with MolForge

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Related Compounds

10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one
CID 146501121
10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one
CID 158249277
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359
N-pyridin-3-ylquinazolin-4-amine
CID 5328017
7-fluoro-9-oxothioxanthene-4-carboxylic acid
CID 22917224
3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498515
6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498374
6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine
CID 89266547
6-(butylamino)-10-(trifluoromethyl)thiochromeno[2,3-c]quinolin-12-one;6-[3-(propylamino)propylamino]-10-(trifluoromethyl)thiochromeno[2,3-c]quinolin-12-one
CID 165035189
N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 146082674
6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498509
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007

Frequently Asked Questions

What is the IUPAC name of bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one (CID 159211063) is bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one is O=c1c2cc(F)ccc2sc2c(Nc3ccccc3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(Nc3ccccc3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(Nc3ccccn3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(Nc3cccnc3)nc3ccccc3c12.
What is the InChIKey of bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one?
The InChIKey is KQMOUPKTEHPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H13FN2OS.2C21H12FN3OS/c2*23-13-10-11-18-16(12-13)20(26)19-15-8-4-5-9-17(15)25-22(21(19)27-18)24-14-6-2-1-3-7-14;22-12-7-8-17-15(10-12)19(26)18-14-5-1-2-6-16(14)25-21(20(18)27-17)24-13-4-3-9-23-11-13;22-12-8-9-16-14(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/h2*1-12H,(H,24,25);1-11H,(H,24,25);1-11H,(H,23,24,25).
What are the key properties of bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one?
bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one has a molecular weight of 1491.67 g/mol, XLogP of 22.17, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-anilino-10-fluorothiochromeno[2,3-c]quinolin-12-one);10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(pyridin-3-ylamino)thiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 159211063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).