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

C21H19NO5 — CID 25017760

IUPAC10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCOc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12
InChIInChI=1S/C21H19NO5/c1-10(2)26-15-8-7-14-18(20(15)25-4)12-5-6-13-17(19(12)21(24)27-14)11(3)9-16(23)22-13/h5-10H,1-4H3,(H,22,23)
InChIKeyXRNVRWIQRZYNCK-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.89
Rot. Bonds3

About 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione

10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione (PubChem CID 25017760) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione.

Molecular Properties

Compound Name10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione
PubChem CID25017760
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCOc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12
InChIInChI=1S/C21H19NO5/c1-10(2)26-15-8-7-14-18(20(15)25-4)12-5-6-13-17(19(12)21(24)27-14)11(3)9-16(23)22-13/h5-10H,1-4H3,(H,22,23)
InChIKeyXRNVRWIQRZYNCK-UHFFFAOYSA-N
XLogP3.89
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione?
The IUPAC name of 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione (CID 25017760) is 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione.
What is the SMILES notation for 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione?
The canonical SMILES for 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione is COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12.
What is the InChIKey of 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione?
The InChIKey is XRNVRWIQRZYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-10(2)26-15-8-7-14-18(20(15)25-4)12-5-6-13-17(19(12)21(24)27-14)11(3)9-16(23)22-13/h5-10H,1-4H3,(H,22,23).
What are the key properties of 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione?
10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione has a molecular weight of 365.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione is sourced from PubChem (CID 25017760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).