6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one

C19H16FN3OS — CID 139572346

IUPAC6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12
InChIInChI=1S/C19H16FN3OS/c20-11-6-7-15-13(10-11)17(24)16-12-4-1-2-5-14(12)23-19(18(16)25-15)22-9-3-8-21/h1-2,4-7,10H,3,8-9,21H2,(H,22,23)
InChIKeyLLIPEVXJLCHVGN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.86
Rot. Bonds4

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

6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one (PubChem CID 139572346) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one
PubChem CID139572346
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12
InChIInChI=1S/C19H16FN3OS/c20-11-6-7-15-13(10-11)17(24)16-12-4-1-2-5-14(12)23-19(18(16)25-15)22-9-3-8-21/h1-2,4-7,10H,3,8-9,21H2,(H,22,23)
InChIKeyLLIPEVXJLCHVGN-UHFFFAOYSA-N
XLogP3.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one (CID 139572346) is 6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one is NCCCNc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12.
What is the InChIKey of 6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The InChIKey is LLIPEVXJLCHVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c20-11-6-7-15-13(10-11)17(24)16-12-4-1-2-5-14(12)23-19(18(16)25-15)22-9-3-8-21/h1-2,4-7,10H,3,8-9,21H2,(H,22,23).
What are the key properties of 6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one?
6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one has a molecular weight of 353.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 139572346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).