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

C19H15ClFN3OS — CID 146501122

IUPAC6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12
InChIInChI=1S/C19H15ClFN3OS/c20-13-9-10(21)8-12-16(25)15-11-4-1-2-5-14(11)24-19(23-7-3-6-22)18(15)26-17(12)13/h1-2,4-5,8-9H,3,6-7,22H2,(H,23,24)
InChIKeyJUNUNGRREFHSCK-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.52
Rot. Bonds4

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

6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one (PubChem CID 146501122) has the molecular formula C19H15ClFN3OS and a molecular weight of 387.87 g/mol. Its IUPAC name is 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
PubChem CID146501122
Molecular FormulaC19H15ClFN3OS
Molecular Weight387.87 g/mol
Exact Mass387.06
IUPAC Name6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12
InChIInChI=1S/C19H15ClFN3OS/c20-13-9-10(21)8-12-16(25)15-11-4-1-2-5-14(11)24-19(23-7-3-6-22)18(15)26-17(12)13/h1-2,4-5,8-9H,3,6-7,22H2,(H,23,24)
InChIKeyJUNUNGRREFHSCK-UHFFFAOYSA-N
XLogP4.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.52
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'}

Analyze 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one (CID 146501122) is 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one is NCCCNc1nc2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12.
What is the InChIKey of 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The InChIKey is JUNUNGRREFHSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3OS/c20-13-9-10(21)8-12-16(25)15-11-4-1-2-5-14(11)24-19(23-7-3-6-22)18(15)26-17(12)13/h1-2,4-5,8-9H,3,6-7,22H2,(H,23,24).
What are the key properties of 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one has a molecular weight of 387.87 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 146501122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).