(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone

C19H19N5O — CID 166312922

IUPAC(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone
SMILESCC1c2ccccc2CCN1C(=O)c1cccc(Cc2nn[nH]n2)c1
InChIInChI=1S/C19H19N5O/c1-13-17-8-3-2-6-15(17)9-10-24(13)19(25)16-7-4-5-14(11-16)12-18-20-22-23-21-18/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,22,23)
InChIKeyPUJYRSCANXDLJP-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.55
Rot. Bonds3

About (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone

(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone (PubChem CID 166312922) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone
PubChem CID166312922
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone
SMILESCC1c2ccccc2CCN1C(=O)c1cccc(Cc2nn[nH]n2)c1
InChIInChI=1S/C19H19N5O/c1-13-17-8-3-2-6-15(17)9-10-24(13)19(25)16-7-4-5-14(11-16)12-18-20-22-23-21-18/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,22,23)
InChIKeyPUJYRSCANXDLJP-UHFFFAOYSA-N
XLogP2.55
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone 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-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone?
The IUPAC name of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone (CID 166312922) is (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone.
What is the SMILES notation for (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone?
The canonical SMILES for (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone is CC1c2ccccc2CCN1C(=O)c1cccc(Cc2nn[nH]n2)c1.
What is the InChIKey of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone?
The InChIKey is PUJYRSCANXDLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-17-8-3-2-6-15(17)9-10-24(13)19(25)16-7-4-5-14(11-16)12-18-20-22-23-21-18/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,22,23).
What are the key properties of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone?
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone has a molecular weight of 333.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone is sourced from PubChem (CID 166312922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).