cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate

C18H17NO3S — CID 67872868

IUPACcyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate
SMILESO=C(OC1CCCCC1)c1sc2nc3ccccc3cc2c1O
InChIInChI=1S/C18H17NO3S/c20-15-13-10-11-6-4-5-9-14(11)19-17(13)23-16(15)18(21)22-12-7-2-1-3-8-12/h4-6,9-10,12,20H,1-3,7-8H2
InChIKeyVDXAOEDKMCVJFP-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.64
Rot. Bonds2

About cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate

cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate (PubChem CID 67872868) has the molecular formula C18H17NO3S and a molecular weight of 327.40 g/mol. Its IUPAC name is cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate
PubChem CID67872868
Molecular FormulaC18H17NO3S
Molecular Weight327.40 g/mol
Exact Mass327.09
IUPAC Namecyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate
SMILESO=C(OC1CCCCC1)c1sc2nc3ccccc3cc2c1O
InChIInChI=1S/C18H17NO3S/c20-15-13-10-11-6-4-5-9-14(11)19-17(13)23-16(15)18(21)22-12-7-2-1-3-8-12/h4-6,9-10,12,20H,1-3,7-8H2
InChIKeyVDXAOEDKMCVJFP-UHFFFAOYSA-N
XLogP4.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate (CID 67872868) is cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate is O=C(OC1CCCCC1)c1sc2nc3ccccc3cc2c1O.
What is the InChIKey of cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is VDXAOEDKMCVJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-15-13-10-11-6-4-5-9-14(11)19-17(13)23-16(15)18(21)22-12-7-2-1-3-8-12/h4-6,9-10,12,20H,1-3,7-8H2.
What are the key properties of cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate?
cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 327.40 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 67872868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).