6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

C19H17NO3 — CID 6325047

IUPAC6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCOc1cc2c(c3[nH]c4ccccc4c(=O)c13)C=CC(C)(C)O2
InChIInChI=1S/C19H17NO3/c1-19(2)9-8-12-14(23-19)10-15(22-3)16-17(12)20-13-7-5-4-6-11(13)18(16)21/h4-10H,1-3H3,(H,20,21)
InChIKeyNEYQKEUFRBPEJP-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.87
Rot. Bonds1

About 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (PubChem CID 6325047) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
PubChem CID6325047
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCOc1cc2c(c3[nH]c4ccccc4c(=O)c13)C=CC(C)(C)O2
InChIInChI=1S/C19H17NO3/c1-19(2)9-8-12-14(23-19)10-15(22-3)16-17(12)20-13-7-5-4-6-11(13)18(16)21/h4-10H,1-3H3,(H,20,21)
InChIKeyNEYQKEUFRBPEJP-UHFFFAOYSA-N
XLogP3.87
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The IUPAC name of 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (CID 6325047) is 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The canonical SMILES for 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is COc1cc2c(c3[nH]c4ccccc4c(=O)c13)C=CC(C)(C)O2.
What is the InChIKey of 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The InChIKey is NEYQKEUFRBPEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-19(2)9-8-12-14(23-19)10-15(22-3)16-17(12)20-13-7-5-4-6-11(13)18(16)21/h4-10H,1-3H3,(H,20,21).
What are the key properties of 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one has a molecular weight of 307.35 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 6325047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).