6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one

C103H75Cl3F2N12O9S5 — CID 160931875

IUPAC6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESCCCNCCCNc1nc2ccccc2c2c1S(=O)(=O)c1ccc(Cl)cc1C2=O.CCCNc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12.COc1ccc(CNc2nc3ccccc3c3c(=O)c4cc(Cl)ccc4sc23)cc1.Nc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12.O=C(Nc1nc2ccccc2c2c(=O)c3cc(Cl)ccc3sc12)c1ccccn1
InChIInChI=1S/C24H17ClN2O2S.C22H22ClN3O3S.C22H12ClN3O2S.C19H15FN2OS.C16H9FN2OS/c1-29-16-9-6-14(7-10-16)13-26-24-23-21(17-4-2-3-5-19(17)27-24)22(28)18-12-15(25)8-11-20(18)30-23;1-2-10-24-11-5-12-25-22-21-19(15-6-3-4-7-17(15)26-22)20(27)16-13-14(23)8-9-18(16)30(21,28)29;23-12-8-9-17-14(11-12)19(27)18-13-5-1-2-6-15(13)25-21(20(18)29-17)26-22(28)16-7-3-4-10-24-16;1-2-9-21-19-18-16(12-5-3-4-6-14(12)22-19)17(23)13-10-11(20)7-8-15(13)24-18;17-8-5-6-12-10(7-8)14(20)13-9-3-1-2-4-11(9)19-16(18)15(13)21-12/h2-12H,13H2,1H3,(H,26,27);3-4,6-9,13,24H,2,5,10-12H2,1H3,(H,25,26);1-11H,(H,25,26,28);3-8,10H,2,9H2,1H3,(H,21,22);1-7H,(H2,18,19)
InChIKeySTJFWQCGCYSZDN-UHFFFAOYSA-N
MW1929.50 g/mol
LogP24.18
Rot. Bonds16

About 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one

6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one (PubChem CID 160931875) has the molecular formula C103H75Cl3F2N12O9S5 and a molecular weight of 1929.50 g/mol. Its IUPAC name is 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
PubChem CID160931875
Molecular FormulaC103H75Cl3F2N12O9S5
Molecular Weight1929.50 g/mol
Exact Mass1926.34
IUPAC Name6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESCCCNCCCNc1nc2ccccc2c2c1S(=O)(=O)c1ccc(Cl)cc1C2=O.CCCNc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12.COc1ccc(CNc2nc3ccccc3c3c(=O)c4cc(Cl)ccc4sc23)cc1.Nc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12.O=C(Nc1nc2ccccc2c2c(=O)c3cc(Cl)ccc3sc12)c1ccccn1
InChIInChI=1S/C24H17ClN2O2S.C22H22ClN3O3S.C22H12ClN3O2S.C19H15FN2OS.C16H9FN2OS/c1-29-16-9-6-14(7-10-16)13-26-24-23-21(17-4-2-3-5-19(17)27-24)22(28)18-12-15(25)8-11-20(18)30-23;1-2-10-24-11-5-12-25-22-21-19(15-6-3-4-7-17(15)26-22)20(27)16-13-14(23)8-9-18(16)30(21,28)29;23-12-8-9-17-14(11-12)19(27)18-13-5-1-2-6-15(13)25-21(20(18)29-17)26-22(28)16-7-3-4-10-24-16;1-2-9-21-19-18-16(12-5-3-4-6-14(12)22-19)17(23)13-10-11(20)7-8-15(13)24-18;17-8-5-6-12-10(7-8)14(20)13-9-3-1-2-4-11(9)19-16(18)15(13)21-12/h2-12H,13H2,1H3,(H,26,27);3-4,6-9,13,24H,2,5,10-12H2,1H3,(H,25,26);1-11H,(H,25,26,28);3-8,10H,2,9H2,1H3,(H,21,22);1-7H,(H2,18,19)
InChIKeySTJFWQCGCYSZDN-UHFFFAOYSA-N
XLogP24.18
TPSA309.30 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.50
LogP ≤ 524.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one (CID 160931875) is 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one is CCCNCCCNc1nc2ccccc2c2c1S(=O)(=O)c1ccc(Cl)cc1C2=O.CCCNc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12.COc1ccc(CNc2nc3ccccc3c3c(=O)c4cc(Cl)ccc4sc23)cc1.Nc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12.O=C(Nc1nc2ccccc2c2c(=O)c3cc(Cl)ccc3sc12)c1ccccn1.
What is the InChIKey of 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
The InChIKey is STJFWQCGCYSZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2S.C22H22ClN3O3S.C22H12ClN3O2S.C19H15FN2OS.C16H9FN2OS/c1-29-16-9-6-14(7-10-16)13-26-24-23-21(17-4-2-3-5-19(17)27-24)22(28)18-12-15(25)8-11-20(18)30-23;1-2-10-24-11-5-12-25-22-21-19(15-6-3-4-7-17(15)26-22)20(27)16-13-14(23)8-9-18(16)30(21,28)29;23-12-8-9-17-14(11-12)19(27)18-13-5-1-2-6-15(13)25-21(20(18)29-17)26-22(28)16-7-3-4-10-24-16;1-2-9-21-19-18-16(12-5-3-4-6-14(12)22-19)17(23)13-10-11(20)7-8-15(13)24-18;17-8-5-6-12-10(7-8)14(20)13-9-3-1-2-4-11(9)19-16(18)15(13)21-12/h2-12H,13H2,1H3,(H,26,27);3-4,6-9,13,24H,2,5,10-12H2,1H3,(H,25,26);1-11H,(H,25,26,28);3-8,10H,2,9H2,1H3,(H,21,22);1-7H,(H2,18,19).
What are the key properties of 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one has a molecular weight of 1929.50 g/mol, XLogP of 24.18, 16 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-chloro-7,7-dioxo-6-[3-(propylamino)propylamino]thiochromeno[2,3-c]quinolin-12-one;10-chloro-6-[(4-methoxyphenyl)methylamino]thiochromeno[2,3-c]quinolin-12-one;N-(10-chloro-12-oxothiochromeno[2,3-c]quinolin-6-yl)pyridine-2-carboxamide;10-fluoro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 160931875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).