[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol

C20H22N2O2 — CID 22720564

IUPAC[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol
SMILESCOc1ccc(-c2cccc3cc4n(c23)CCNCC4)c(CO)c1
InChIInChI=1S/C20H22N2O2/c1-24-17-5-6-18(15(12-17)13-23)19-4-2-3-14-11-16-7-8-21-9-10-22(16)20(14)19/h2-6,11-12,21,23H,7-10,13H2,1H3
InChIKeyUUWXQLLPZKNJCS-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.95
Rot. Bonds3

About [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol

[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol (PubChem CID 22720564) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol
PubChem CID22720564
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol
SMILESCOc1ccc(-c2cccc3cc4n(c23)CCNCC4)c(CO)c1
InChIInChI=1S/C20H22N2O2/c1-24-17-5-6-18(15(12-17)13-23)19-4-2-3-14-11-16-7-8-21-9-10-22(16)20(14)19/h2-6,11-12,21,23H,7-10,13H2,1H3
InChIKeyUUWXQLLPZKNJCS-UHFFFAOYSA-N
XLogP2.95
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol?
The IUPAC name of [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol (CID 22720564) is [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol.
What is the SMILES notation for [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol?
The canonical SMILES for [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol is COc1ccc(-c2cccc3cc4n(c23)CCNCC4)c(CO)c1.
What is the InChIKey of [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol?
The InChIKey is UUWXQLLPZKNJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-17-5-6-18(15(12-17)13-23)19-4-2-3-14-11-16-7-8-21-9-10-22(16)20(14)19/h2-6,11-12,21,23H,7-10,13H2,1H3.
What are the key properties of [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol?
[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol has a molecular weight of 322.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]methanol is sourced from PubChem (CID 22720564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).