7-methoxy-4-phenyl-1H-quinoline-2-thione

C16H13NOS — CID 1277258

IUPAC7-methoxy-4-phenyl-1H-quinoline-2-thione
SMILESCOc1ccc2c(-c3ccccc3)cc(=S)[nH]c2c1
InChIInChI=1S/C16H13NOS/c1-18-12-7-8-13-14(11-5-3-2-4-6-11)10-16(19)17-15(13)9-12/h2-10H,1H3,(H,17,19)
InChIKeyDXKWNVKAOKZLGP-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.57
Rot. Bonds2

About 7-methoxy-4-phenyl-1H-quinoline-2-thione

7-methoxy-4-phenyl-1H-quinoline-2-thione (PubChem CID 1277258) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 7-methoxy-4-phenyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name7-methoxy-4-phenyl-1H-quinoline-2-thione
PubChem CID1277258
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name7-methoxy-4-phenyl-1H-quinoline-2-thione
SMILESCOc1ccc2c(-c3ccccc3)cc(=S)[nH]c2c1
InChIInChI=1S/C16H13NOS/c1-18-12-7-8-13-14(11-5-3-2-4-6-11)10-16(19)17-15(13)9-12/h2-10H,1H3,(H,17,19)
InChIKeyDXKWNVKAOKZLGP-UHFFFAOYSA-N
XLogP4.57
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-phenyl-1H-quinoline-2-thione?
The IUPAC name of 7-methoxy-4-phenyl-1H-quinoline-2-thione (CID 1277258) is 7-methoxy-4-phenyl-1H-quinoline-2-thione.
What is the SMILES notation for 7-methoxy-4-phenyl-1H-quinoline-2-thione?
The canonical SMILES for 7-methoxy-4-phenyl-1H-quinoline-2-thione is COc1ccc2c(-c3ccccc3)cc(=S)[nH]c2c1.
What is the InChIKey of 7-methoxy-4-phenyl-1H-quinoline-2-thione?
The InChIKey is DXKWNVKAOKZLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-18-12-7-8-13-14(11-5-3-2-4-6-11)10-16(19)17-15(13)9-12/h2-10H,1H3,(H,17,19).
What are the key properties of 7-methoxy-4-phenyl-1H-quinoline-2-thione?
7-methoxy-4-phenyl-1H-quinoline-2-thione has a molecular weight of 267.35 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-phenyl-1H-quinoline-2-thione is sourced from PubChem (CID 1277258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).