2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione

C23H15NO4 — CID 101038958

IUPAC2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione
SMILESCOc1ccc(-c2cc(=O)c3cc4c(=O)c5ccccc5[nH]c4cc3o2)cc1
InChIInChI=1S/C23H15NO4/c1-27-14-8-6-13(7-9-14)21-12-20(25)17-10-16-19(11-22(17)28-21)24-18-5-3-2-4-15(18)23(16)26/h2-12H,1H3,(H,24,26)
InChIKeyYCKXLTUBIRCHFK-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.46
Rot. Bonds2

About 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione

2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione (PubChem CID 101038958) has the molecular formula C23H15NO4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione
PubChem CID101038958
Molecular FormulaC23H15NO4
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione
SMILESCOc1ccc(-c2cc(=O)c3cc4c(=O)c5ccccc5[nH]c4cc3o2)cc1
InChIInChI=1S/C23H15NO4/c1-27-14-8-6-13(7-9-14)21-12-20(25)17-10-16-19(11-22(17)28-21)24-18-5-3-2-4-15(18)23(16)26/h2-12H,1H3,(H,24,26)
InChIKeyYCKXLTUBIRCHFK-UHFFFAOYSA-N
XLogP4.46
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one
CID 59527462
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 70694151
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-(4-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
CID 53487406
2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one
CID 25011613
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione?
The IUPAC name of 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione (CID 101038958) is 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione?
The canonical SMILES for 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione is COc1ccc(-c2cc(=O)c3cc4c(=O)c5ccccc5[nH]c4cc3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione?
The InChIKey is YCKXLTUBIRCHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO4/c1-27-14-8-6-13(7-9-14)21-12-20(25)17-10-16-19(11-22(17)28-21)24-18-5-3-2-4-15(18)23(16)26/h2-12H,1H3,(H,24,26).
What are the key properties of 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione?
2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione has a molecular weight of 369.38 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-11H-pyrano[3,2-b]acridine-4,6-dione is sourced from PubChem (CID 101038958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).