(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol

C21H24N2O — CID 177371284

IUPAC(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(ccn2C[C@H](O)CN2CCc3ccccc3C2)c1
InChIInChI=1S/C21H24N2O/c1-16-6-7-21-18(12-16)9-11-23(21)15-20(24)14-22-10-8-17-4-2-3-5-19(17)13-22/h2-7,9,11-12,20,24H,8,10,13-15H2,1H3/t20-/m1/s1
InChIKeyVQGOTBPIWHJPLH-HXUWFJFHSA-N
MW320.44 g/mol
LogP3.37
Rot. Bonds4

About (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol (PubChem CID 177371284) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol
PubChem CID177371284
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(ccn2C[C@H](O)CN2CCc3ccccc3C2)c1
InChIInChI=1S/C21H24N2O/c1-16-6-7-21-18(12-16)9-11-23(21)15-20(24)14-22-10-8-17-4-2-3-5-19(17)13-22/h2-7,9,11-12,20,24H,8,10,13-15H2,1H3/t20-/m1/s1
InChIKeyVQGOTBPIWHJPLH-HXUWFJFHSA-N
XLogP3.37
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol (CID 177371284) is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol is Cc1ccc2c(ccn2C[C@H](O)CN2CCc3ccccc3C2)c1.
What is the InChIKey of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol?
The InChIKey is VQGOTBPIWHJPLH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-6-7-21-18(12-16)9-11-23(21)15-20(24)14-22-10-8-17-4-2-3-5-19(17)13-22/h2-7,9,11-12,20,24H,8,10,13-15H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol?
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol has a molecular weight of 320.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methylindol-1-yl)propan-2-ol is sourced from PubChem (CID 177371284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).