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

C18H12ClFN2OS — CID 146501143

IUPAC8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESCCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12
InChIInChI=1S/C18H12ClFN2OS/c1-2-21-18-17-14(10-5-3-4-6-13(10)22-18)15(23)11-7-9(20)8-12(19)16(11)24-17/h3-8H,2H2,1H3,(H,21,22)
InChIKeyJARWFMSYIKIELX-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.19
Rot. Bonds2

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

8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one (PubChem CID 146501143) has the molecular formula C18H12ClFN2OS and a molecular weight of 358.83 g/mol. Its IUPAC name is 8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one
PubChem CID146501143
Molecular FormulaC18H12ClFN2OS
Molecular Weight358.83 g/mol
Exact Mass358.03
IUPAC Name8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESCCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12
InChIInChI=1S/C18H12ClFN2OS/c1-2-21-18-17-14(10-5-3-4-6-13(10)22-18)15(23)11-7-9(20)8-12(19)16(11)24-17/h3-8H,2H2,1H3,(H,21,22)
InChIKeyJARWFMSYIKIELX-UHFFFAOYSA-N
XLogP5.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one (CID 146501143) is 8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one is CCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12.
What is the InChIKey of 8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The InChIKey is JARWFMSYIKIELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2OS/c1-2-21-18-17-14(10-5-3-4-6-13(10)22-18)15(23)11-7-9(20)8-12(19)16(11)24-17/h3-8H,2H2,1H3,(H,21,22).
What are the key properties of 8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one?
8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one has a molecular weight of 358.83 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(ethylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 146501143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).