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

C22H26N2O2 — CID 22720187

IUPAC1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol
SMILESCCC(O)c1cc(OC)ccc1-c1cccc2cc3n(c12)CCNCC3
InChIInChI=1S/C22H26N2O2/c1-3-21(25)20-14-17(26-2)7-8-18(20)19-6-4-5-15-13-16-9-10-23-11-12-24(16)22(15)19/h4-8,13-14,21,23,25H,3,9-12H2,1-2H3
InChIKeyFLDKYIQYTYNDBU-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.91
Rot. Bonds4

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

1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol (PubChem CID 22720187) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol
PubChem CID22720187
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol
SMILESCCC(O)c1cc(OC)ccc1-c1cccc2cc3n(c12)CCNCC3
InChIInChI=1S/C22H26N2O2/c1-3-21(25)20-14-17(26-2)7-8-18(20)19-6-4-5-15-13-16-9-10-23-11-12-24(16)22(15)19/h4-8,13-14,21,23,25H,3,9-12H2,1-2H3
InChIKeyFLDKYIQYTYNDBU-UHFFFAOYSA-N
XLogP3.91
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol?
The IUPAC name of 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol (CID 22720187) is 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol?
The canonical SMILES for 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol is CCC(O)c1cc(OC)ccc1-c1cccc2cc3n(c12)CCNCC3.
What is the InChIKey of 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol?
The InChIKey is FLDKYIQYTYNDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-21(25)20-14-17(26-2)7-8-18(20)19-6-4-5-15-13-16-9-10-23-11-12-24(16)22(15)19/h4-8,13-14,21,23,25H,3,9-12H2,1-2H3.
What are the key properties of 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol?
1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol has a molecular weight of 350.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-7-yl)phenyl]propan-1-ol is sourced from PubChem (CID 22720187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).