[5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

C23H19ClN2O4 — CID 118714123

IUPAC[5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C23H19ClN2O4/c1-28-22-7-6-14(10-25-22)23-16-8-20-21(30-13-29-20)9-18(16)26(19(23)12-27)11-15-4-2-3-5-17(15)24/h2-10,27H,11-13H2,1H3
InChIKeyVROWRQHFGBVHFH-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.63
Rot. Bonds5

About [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

[5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (PubChem CID 118714123) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.

Molecular Properties

Compound Name[5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
PubChem CID118714123
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name[5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C23H19ClN2O4/c1-28-22-7-6-14(10-25-22)23-16-8-20-21(30-13-29-20)9-18(16)26(19(23)12-27)11-15-4-2-3-5-17(15)24/h2-10,27H,11-13H2,1H3
InChIKeyVROWRQHFGBVHFH-UHFFFAOYSA-N
XLogP4.63
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The IUPAC name of [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (CID 118714123) is [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.
What is the SMILES notation for [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The canonical SMILES for [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc4c(cc23)OCO4)cn1.
What is the InChIKey of [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The InChIKey is VROWRQHFGBVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-28-22-7-6-14(10-25-22)23-16-8-20-21(30-13-29-20)9-18(16)26(19(23)12-27)11-15-4-2-3-5-17(15)24/h2-10,27H,11-13H2,1H3.
What are the key properties of [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
[5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol has a molecular weight of 422.87 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is sourced from PubChem (CID 118714123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).