(2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde

C16H15NOS — CID 139262075

IUPAC(2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde
SMILESCC(C)[C@H]1Sc2nc3ccccc3cc2C=C1C=O
InChIInChI=1S/C16H15NOS/c1-10(2)15-13(9-18)8-12-7-11-5-3-4-6-14(11)17-16(12)19-15/h3-10,15H,1-2H3/t15-/m1/s1
InChIKeyAGFUQKCFZBCOBV-OAHLLOKOSA-N
MW269.37 g/mol
LogP3.95
Rot. Bonds2

About (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde

(2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde (PubChem CID 139262075) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde
PubChem CID139262075
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde
SMILESCC(C)[C@H]1Sc2nc3ccccc3cc2C=C1C=O
InChIInChI=1S/C16H15NOS/c1-10(2)15-13(9-18)8-12-7-11-5-3-4-6-14(11)17-16(12)19-15/h3-10,15H,1-2H3/t15-/m1/s1
InChIKeyAGFUQKCFZBCOBV-OAHLLOKOSA-N
XLogP3.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde?
The IUPAC name of (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde (CID 139262075) is (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde.
What is the SMILES notation for (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde?
The canonical SMILES for (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde is CC(C)[C@H]1Sc2nc3ccccc3cc2C=C1C=O.
What is the InChIKey of (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde?
The InChIKey is AGFUQKCFZBCOBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15NOS/c1-10(2)15-13(9-18)8-12-7-11-5-3-4-6-14(11)17-16(12)19-15/h3-10,15H,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde?
(2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde has a molecular weight of 269.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-yl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde is sourced from PubChem (CID 139262075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).