6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one

C18H13ClFN3OS — CID 146501120

IUPAC6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12
InChIInChI=1S/C18H13ClFN3OS/c19-12-8-9(20)7-11-15(24)14-10-3-1-2-4-13(10)23-18(22-6-5-21)17(14)25-16(11)12/h1-4,7-8H,5-6,21H2,(H,22,23)
InChIKeyYCPSMWFOJGOLKC-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.13
Rot. Bonds3

About 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one

6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one (PubChem CID 146501120) has the molecular formula C18H13ClFN3OS and a molecular weight of 373.84 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
PubChem CID146501120
Molecular FormulaC18H13ClFN3OS
Molecular Weight373.84 g/mol
Exact Mass373.05
IUPAC Name6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12
InChIInChI=1S/C18H13ClFN3OS/c19-12-8-9(20)7-11-15(24)14-10-3-1-2-4-13(10)23-18(22-6-5-21)17(14)25-16(11)12/h1-4,7-8H,5-6,21H2,(H,22,23)
InChIKeyYCPSMWFOJGOLKC-UHFFFAOYSA-N
XLogP4.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.13
H-Bond Donors ≤ 52
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 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one (CID 146501120) is 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one is NCCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12.
What is the InChIKey of 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The InChIKey is YCPSMWFOJGOLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3OS/c19-12-8-9(20)7-11-15(24)14-10-3-1-2-4-13(10)23-18(22-6-5-21)17(14)25-16(11)12/h1-4,7-8H,5-6,21H2,(H,22,23).
What are the key properties of 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one has a molecular weight of 373.84 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 146501120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).