(2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde

C20H15NO2S — CID 139262085

IUPAC(2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde
SMILESCOc1ccc2nc3c(cc2c1)C=C(C=O)[C@@H](c1ccccc1)S3
InChIInChI=1S/C20H15NO2S/c1-23-17-7-8-18-14(11-17)9-15-10-16(12-22)19(24-20(15)21-18)13-5-3-2-4-6-13/h2-12,19H,1H3/t19-/m1/s1
InChIKeyZORNORLQPYWUKQ-LJQANCHMSA-N
MW333.41 g/mol
LogP4.67
Rot. Bonds3

About (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde

(2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde (PubChem CID 139262085) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name(2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde
PubChem CID139262085
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name(2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde
SMILESCOc1ccc2nc3c(cc2c1)C=C(C=O)[C@@H](c1ccccc1)S3
InChIInChI=1S/C20H15NO2S/c1-23-17-7-8-18-14(11-17)9-15-10-16(12-22)19(24-20(15)21-18)13-5-3-2-4-6-13/h2-12,19H,1H3/t19-/m1/s1
InChIKeyZORNORLQPYWUKQ-LJQANCHMSA-N
XLogP4.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde with MolForge

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Related Compounds

Ethanamine, N,N-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride
CID 3069816
3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
CID 53390843
6-Methoxy-2-methylthioquinoline-3-carbonitrile
CID 865458
3-[(6-Methoxy-4-methyl-2-quinolinyl)thio]propanoic acid
CID 939671
Ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylbutanoate
CID 3168484
2-Ethylsulfanyl-6-methoxy-quinoline-3-carbonitrile
CID 865459
6-Methoxy-4-methyl-2-methylsulfanylquinoline
CID 942030
3-(6-Methoxy-2-methyl-3-propyl-quinolin-4-ylsulfanyl)-propionic acid
CID 706288
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile
CID 1942420
9-Ethenylsulfonyl-2,7-dimethoxyacridine
CID 395402
(6-Methoxy-2-methyl-quinolin-4-ylsulfanyl)-acetic acid
CID 649455
Methyl 2-(6-methoxy-2-methyl-4-quinolylthio)acetate
CID 864464

Frequently Asked Questions

What is the IUPAC name of (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde?
The IUPAC name of (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde (CID 139262085) is (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde.
What is the SMILES notation for (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde?
The canonical SMILES for (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde is COc1ccc2nc3c(cc2c1)C=C(C=O)[C@@H](c1ccccc1)S3.
What is the InChIKey of (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde?
The InChIKey is ZORNORLQPYWUKQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H15NO2S/c1-23-17-7-8-18-14(11-17)9-15-10-16(12-22)19(24-20(15)21-18)13-5-3-2-4-6-13/h2-12,19H,1H3/t19-/m1/s1.
What are the key properties of (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde?
(2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde has a molecular weight of 333.41 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde is sourced from PubChem (CID 139262085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).