[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

C23H20N2O4 — CID 118714122

IUPAC[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C23H20N2O4/c1-27-22-8-7-16(11-24-22)23-17-9-20-21(29-14-28-20)10-18(17)25(19(23)13-26)12-15-5-3-2-4-6-15/h2-11,26H,12-14H2,1H3
InChIKeyTYIPRAJVKHNCMD-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.98
Rot. Bonds5

About [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (PubChem CID 118714122) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.

Molecular Properties

Compound Name[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
PubChem CID118714122
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C23H20N2O4/c1-27-22-8-7-16(11-24-22)23-17-9-20-21(29-14-28-20)10-18(17)25(19(23)13-26)12-15-5-3-2-4-6-15/h2-11,26H,12-14H2,1H3
InChIKeyTYIPRAJVKHNCMD-UHFFFAOYSA-N
XLogP3.98
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The IUPAC name of [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (CID 118714122) is [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.
What is the SMILES notation for [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The canonical SMILES for [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is COc1ccc(-c2c(CO)n(Cc3ccccc3)c3cc4c(cc23)OCO4)cn1.
What is the InChIKey of [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The InChIKey is TYIPRAJVKHNCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-27-22-8-7-16(11-24-22)23-17-9-20-21(29-14-28-20)10-18(17)25(19(23)13-26)12-15-5-3-2-4-6-15/h2-11,26H,12-14H2,1H3.
What are the key properties of [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol has a molecular weight of 388.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is sourced from PubChem (CID 118714122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).