3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione

C19H12INO4 — CID 2784493

IUPAC3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione
SMILESCn1c(=O)c2c(Oc3ccccc3)c(I)c(=O)oc2c2ccccc21
InChIInChI=1S/C19H12INO4/c1-21-13-10-6-5-9-12(13)16-14(18(21)22)17(15(20)19(23)25-16)24-11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyPQTKUBKATGLLHD-UHFFFAOYSA-N
MW445.21 g/mol
LogP4.04
Rot. Bonds2

About 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione

3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione (PubChem CID 2784493) has the molecular formula C19H12INO4 and a molecular weight of 445.21 g/mol. Its IUPAC name is 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione
PubChem CID2784493
Molecular FormulaC19H12INO4
Molecular Weight445.21 g/mol
Exact Mass444.98
IUPAC Name3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione
SMILESCn1c(=O)c2c(Oc3ccccc3)c(I)c(=O)oc2c2ccccc21
InChIInChI=1S/C19H12INO4/c1-21-13-10-6-5-9-12(13)16-14(18(21)22)17(15(20)19(23)25-16)24-11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyPQTKUBKATGLLHD-UHFFFAOYSA-N
XLogP4.04
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione with MolForge

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Related Compounds

4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione
CID 110273333
1,3-dimethyl-4-phenoxyquinolin-2-one
CID 151532277
3-bromo-4-hydroxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
CID 54718586
3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
CID 2750999
2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887696
2-anilino-3-(4-bromophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887690
3-(4-methoxyphenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
CID 18887725
2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one
CID 18887677
2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887774
2-anilino-3-(3,4-dichlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887688
5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one
CID 18887724
3-[(3,3-dimethyloxiran-2-yl)methyl]-4-methoxy-1-methylquinolin-2-one
CID 162878711

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione (CID 2784493) is 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione is Cn1c(=O)c2c(Oc3ccccc3)c(I)c(=O)oc2c2ccccc21.
What is the InChIKey of 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is PQTKUBKATGLLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12INO4/c1-21-13-10-6-5-9-12(13)16-14(18(21)22)17(15(20)19(23)25-16)24-11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione?
3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 445.21 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methyl-4-phenoxypyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 2784493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).