3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one

C19H14INO2 — CID 132540083

IUPAC3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one
SMILESCn1c(=O)c2c(c3ccccc31)OCC(I)=C2c1ccccc1
InChIInChI=1S/C19H14INO2/c1-21-15-10-6-5-9-13(15)18-17(19(21)22)16(14(20)11-23-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyFIQSCUYQRDLYLS-UHFFFAOYSA-N
MW415.23 g/mol
LogP4.13
Rot. Bonds1

About 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one

3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one (PubChem CID 132540083) has the molecular formula C19H14INO2 and a molecular weight of 415.23 g/mol. Its IUPAC name is 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one
PubChem CID132540083
Molecular FormulaC19H14INO2
Molecular Weight415.23 g/mol
Exact Mass415.01
IUPAC Name3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one
SMILESCn1c(=O)c2c(c3ccccc31)OCC(I)=C2c1ccccc1
InChIInChI=1S/C19H14INO2/c1-21-15-10-6-5-9-13(15)18-17(19(21)22)16(14(20)11-23-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyFIQSCUYQRDLYLS-UHFFFAOYSA-N
XLogP4.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.23
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one?
The IUPAC name of 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one (CID 132540083) is 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one is Cn1c(=O)c2c(c3ccccc31)OCC(I)=C2c1ccccc1.
What is the InChIKey of 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one?
The InChIKey is FIQSCUYQRDLYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14INO2/c1-21-15-10-6-5-9-13(15)18-17(19(21)22)16(14(20)11-23-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one?
3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one has a molecular weight of 415.23 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methyl-4-phenyl-2H-pyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 132540083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).