4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

C18H18N2O — CID 69001139

IUPAC4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1Cc2cc(O)ccc2C(c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C18H18N2O/c1-20-10-14-8-15(21)4-5-16(14)17(11-20)13-3-2-12-6-7-19-18(12)9-13/h2-9,17,19,21H,10-11H2,1H3
InChIKeyXVOHCFDLTKSDBT-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.45
Rot. Bonds1

About 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 69001139) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID69001139
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1Cc2cc(O)ccc2C(c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C18H18N2O/c1-20-10-14-8-15(21)4-5-16(14)17(11-20)13-3-2-12-6-7-19-18(12)9-13/h2-9,17,19,21H,10-11H2,1H3
InChIKeyXVOHCFDLTKSDBT-UHFFFAOYSA-N
XLogP3.45
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (CID 69001139) is 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is CN1Cc2cc(O)ccc2C(c2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is XVOHCFDLTKSDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-20-10-14-8-15(21)4-5-16(14)17(11-20)13-3-2-12-6-7-19-18(12)9-13/h2-9,17,19,21H,10-11H2,1H3.
What are the key properties of 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 278.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 69001139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).