6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol

C23H22N2O2 — CID 44819444

IUPAC6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CC(O)CC3)cc1
InChIInChI=1S/C23H22N2O2/c1-27-16-9-6-14(7-10-16)12-21-23-22(17-4-2-3-5-19(17)25-23)18-13-15(26)8-11-20(18)24-21/h2-7,9-10,15,25-26H,8,11-13H2,1H3
InChIKeyGBLYHAXYCVYHIJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.17
Rot. Bonds3

About 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol

6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol (PubChem CID 44819444) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol
PubChem CID44819444
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CC(O)CC3)cc1
InChIInChI=1S/C23H22N2O2/c1-27-16-9-6-14(7-10-16)12-21-23-22(17-4-2-3-5-19(17)25-23)18-13-15(26)8-11-20(18)24-21/h2-7,9-10,15,25-26H,8,11-13H2,1H3
InChIKeyGBLYHAXYCVYHIJ-UHFFFAOYSA-N
XLogP4.17
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol (CID 44819444) is 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol is COc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CC(O)CC3)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol?
The InChIKey is GBLYHAXYCVYHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-27-16-9-6-14(7-10-16)12-21-23-22(17-4-2-3-5-19(17)25-23)18-13-15(26)8-11-20(18)24-21/h2-7,9-10,15,25-26H,8,11-13H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol?
6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol has a molecular weight of 358.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol is sourced from PubChem (CID 44819444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).