4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one

C19H15ClN2OS — CID 175359513

IUPAC4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESCCCNc1nc2c(Cl)cccc2c2c(=O)c3ccccc3sc12
InChIInChI=1S/C19H15ClN2OS/c1-2-10-21-19-18-15(12-7-5-8-13(20)16(12)22-19)17(23)11-6-3-4-9-14(11)24-18/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyQLCIJCYCHQLKSR-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.44
Rot. Bonds3

About 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one

4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one (PubChem CID 175359513) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
PubChem CID175359513
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESCCCNc1nc2c(Cl)cccc2c2c(=O)c3ccccc3sc12
InChIInChI=1S/C19H15ClN2OS/c1-2-10-21-19-18-15(12-7-5-8-13(20)16(12)22-19)17(23)11-6-3-4-9-14(11)24-18/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyQLCIJCYCHQLKSR-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.44
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 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one (CID 175359513) is 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one is CCCNc1nc2c(Cl)cccc2c2c(=O)c3ccccc3sc12.
What is the InChIKey of 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
The InChIKey is QLCIJCYCHQLKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-2-10-21-19-18-15(12-7-5-8-13(20)16(12)22-19)17(23)11-6-3-4-9-14(11)24-18/h3-9H,2,10H2,1H3,(H,21,22).
What are the key properties of 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one has a molecular weight of 354.86 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 175359513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).