(4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone

C24H17NO4 — CID 11003494

IUPAC(4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)ncc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C24H17NO4/c1-27-18-9-7-16(8-10-18)24(26)22-19-12-21-20(28-14-29-21)11-17(19)13-25-23(22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyCBLIOQWVFVZACZ-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.87
Rot. Bonds4

About (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone

(4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone (PubChem CID 11003494) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone
PubChem CID11003494
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name(4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)ncc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C24H17NO4/c1-27-18-9-7-16(8-10-18)24(26)22-19-12-21-20(28-14-29-21)11-17(19)13-25-23(22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyCBLIOQWVFVZACZ-UHFFFAOYSA-N
XLogP4.87
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone
CID 132560330
N-tert-butyl-6-methoxy-3-phenylisoquinoline-4-carboxamide
CID 102496386
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263
(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone
CID 162692086
1,3-benzodioxol-5-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 3931353
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone
CID 122372234
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
(6-methoxyquinolin-3-yl)-phenylmethanone
CID 102416724
8-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline
CID 132570860

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone (CID 11003494) is (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone is COc1ccc(C(=O)c2c(-c3ccccc3)ncc3cc4c(cc23)OCO4)cc1.
What is the InChIKey of (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone?
The InChIKey is CBLIOQWVFVZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4/c1-27-18-9-7-16(8-10-18)24(26)22-19-12-21-20(28-14-29-21)11-17(19)13-25-23(22)15-5-3-2-4-6-15/h2-13H,14H2,1H3.
What are the key properties of (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone?
(4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone has a molecular weight of 383.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone is sourced from PubChem (CID 11003494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).