5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one

C21H18ClNO2S — CID 141424295

IUPAC5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2c(c1-c1ccccc1)c1ccsc1c(=O)n2C(C)CCl
InChIInChI=1S/C21H18ClNO2S/c1-13(12-22)23-16-8-9-17(25-2)18(14-6-4-3-5-7-14)19(16)15-10-11-26-20(15)21(23)24/h3-11,13H,12H2,1-2H3
InChIKeySQGKFRKRKRKEOY-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.69
Rot. Bonds4

About 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one

5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one (PubChem CID 141424295) has the molecular formula C21H18ClNO2S and a molecular weight of 383.90 g/mol. Its IUPAC name is 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one
PubChem CID141424295
Molecular FormulaC21H18ClNO2S
Molecular Weight383.90 g/mol
Exact Mass383.07
IUPAC Name5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2c(c1-c1ccccc1)c1ccsc1c(=O)n2C(C)CCl
InChIInChI=1S/C21H18ClNO2S/c1-13(12-22)23-16-8-9-17(25-2)18(14-6-4-3-5-7-14)19(16)15-10-11-26-20(15)21(23)24/h3-11,13H,12H2,1-2H3
InChIKeySQGKFRKRKRKEOY-UHFFFAOYSA-N
XLogP5.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one?
The IUPAC name of 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one (CID 141424295) is 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one?
The canonical SMILES for 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one is COc1ccc2c(c1-c1ccccc1)c1ccsc1c(=O)n2C(C)CCl.
What is the InChIKey of 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one?
The InChIKey is SQGKFRKRKRKEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2S/c1-13(12-22)23-16-8-9-17(25-2)18(14-6-4-3-5-7-14)19(16)15-10-11-26-20(15)21(23)24/h3-11,13H,12H2,1-2H3.
What are the key properties of 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one?
5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one has a molecular weight of 383.90 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloropropan-2-yl)-8-methoxy-9-phenylthieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 141424295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).