9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione

C18H13NO4 — CID 25016977

IUPAC9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCOc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1
InChIInChI=1S/C18H13NO4/c1-9-7-15(20)19-13-5-4-11-12-8-10(22-2)3-6-14(12)23-18(21)17(11)16(9)13/h3-8H,1-2H3,(H,19,20)
InChIKeyMSPSWWVRYDIWON-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.10
Rot. Bonds1

About 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione

9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione (PubChem CID 25016977) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione.

Molecular Properties

Compound Name9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
PubChem CID25016977
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCOc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1
InChIInChI=1S/C18H13NO4/c1-9-7-15(20)19-13-5-4-11-12-8-10(22-2)3-6-14(12)23-18(21)17(11)16(9)13/h3-8H,1-2H3,(H,19,20)
InChIKeyMSPSWWVRYDIWON-UHFFFAOYSA-N
XLogP3.10
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The IUPAC name of 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione (CID 25016977) is 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione.
What is the SMILES notation for 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The canonical SMILES for 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione is COc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1.
What is the InChIKey of 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The InChIKey is MSPSWWVRYDIWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-9-7-15(20)19-13-5-4-11-12-8-10(22-2)3-6-14(12)23-18(21)17(11)16(9)13/h3-8H,1-2H3,(H,19,20).
What are the key properties of 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione has a molecular weight of 307.31 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione is sourced from PubChem (CID 25016977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).